OV - gmx_mpi

Run 1x1	Number processes: 1Number nodes: 1Number processes per node: 1Run Command: <executable> mdrun -s ion_channel.tpr -nsteps 10000 --resetstep 8000 -pin on -deffnm gccMPI Command: mpirun -n <number_processes> --bind-to coreDataset: Run Directory: /home/eoseret/GROMACS/DATA/GROMACS_TestCaseAOMP_NUM_THREADS: 1
Run 2x1	Number processes: 2Number processes per node: 2
Run 4x1	Number processes: 4Number processes per node: 4
Run 8x1	Number processes: 8Number processes per node: 8
Run 16x1	Number processes: 16Number processes per node: 16
Run 32x1	Number processes: 32Number processes per node: 32
Run 64x1	Number processes: 64Number processes per node: 64

Loop id	Source Location	Source Function	Level	Coverage 1x1 (%)	Coverage 2x1 (%)	Coverage 4x1 (%)	Coverage 8x1 (%)	Coverage 16x1 (%)	Coverage 32x1 (%)	Coverage 64x1 (%)	Max Time Over Threads 1x1 (s)	Max Time Over Threads 2x1 (s)	Max Time Over Threads 4x1 (s)	Max Time Over Threads 8x1 (s)	Max Time Over Threads 16x1 (s)	Max Time Over Threads 32x1 (s)	Max Time Over Threads 64x1 (s)	Time w.r.t. Wall Time 1x1 (s)	Time w.r.t. Wall Time 2x1 (s)	Time w.r.t. Wall Time 4x1 (s)	Time w.r.t. Wall Time 8x1 (s)	Time w.r.t. Wall Time 16x1 (s)	Time w.r.t. Wall Time 32x1 (s)	Time w.r.t. Wall Time 64x1 (s)	Nb Threads 1x1	Nb Threads 2x1	Nb Threads 4x1	Nb Threads 8x1	Nb Threads 16x1	Nb Threads 32x1	Nb Threads 64x1	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 2x1	Speedup If Perfect Load Balancing 4x1	Speedup If Perfect Load Balancing 8x1	Speedup If Perfect Load Balancing 16x1	Speedup If Perfect Load Balancing 32x1	Speedup If Perfect Load Balancing 64x1	Stride 0	Stride 1	Stride n	Stride Unknown	Stride Indirect	(1x1) Efficiency	(1x1) Potential Speed-Up (%)	(2x1) Efficiency	(2x1) Potential Speed-Up (%)	(4x1) Efficiency	(4x1) Potential Speed-Up (%)	(8x1) Efficiency	(8x1) Potential Speed-Up (%)	(16x1) Efficiency	(16x1) Potential Speed-Up (%)	(32x1) Efficiency	(32x1) Potential Speed-Up (%)	(64x1) Efficiency	(64x1) Potential Speed-Up (%)
1332	libgromacs_mpi.so.7.0.0 - kernel_outer.h:590-590 [...]	nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Single	45.76	45.16	44.04	43	41.94	35.27	33.31	927.59	500.23	298.01	156.38	89.81	61.14	31.77	927.59	465.95	234.16	119.39	62.4	31.51	16.67	1	2	4	8	16	24	48	99.71	51.51	1	1.54	2	1	1.07	1.27	1.31	1.44	1.47	1.45	NA	NA	NA	NA	NA	1	0	1	0.21	0.99	0.43	0.97	1.24	0.93	2.97	0.92	2.82	0.87	4.35
1328	libgromacs_mpi.so.7.0.0 - kernel_outer.h:608-608 [...]	nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	17.5	17.39	17.25	17.06	14.86	12.96	11.37	354.68	208.97	126.47	71.37	39.77	30.25	20.8	354.68	179.43	91.71	47.38	22.11	11.57	5.69	1	2	4	8	16	24	48	99.72	51.14	1	1.57	2	1	1.17	1.38	1.51	1.8	1.97	2.78	NA	NA	NA	NA	NA	1	0	0.99	0.2	0.97	0.57	0.94	1.1	1	0	0.96	0.54	0.97	0.3
1338	libgromacs_mpi.so.7.0.0 - kernel_outer.h:590-590 [...]	nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Single	6.79	6.69	6.56	6.37	6.16	5.24	4.94	137.6	74.29	44.71	23.14	13.22	9.09	4.79	137.6	69.01	34.86	17.69	9.17	4.68	2.47	1	2	4	8	16	24	48	100	50.69	1	1.31	2	1	1.08	1.28	1.31	1.44	1.47	1.47	NA	NA	NA	NA	NA	1	0	1	0.02	0.99	0.09	0.97	0.18	0.94	0.38	0.92	0.43	0.87	0.64
1336	libgromacs_mpi.so.7.0.0 - kernel_outer.h:608-608 [...]	nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	2.7	2.72	2.65	2.63	2.29	2.01	1.74	54.8	32.79	19.76	10.85	6.15	4.72	3.1	54.8	28.01	14.1	7.3	3.41	1.79	0.87	1	2	4	8	16	24	48	100	50.53	1	1.24	2	1	1.17	1.4	1.49	1.81	1.99	2.7	NA	NA	NA	NA	NA	1	0	0.98	0.06	0.97	0.08	0.94	0.16	1	0	0.96	0.09	0.98	0.03
19948	libgromacs_mpi.so.7.0.0 - fft5d.cpp:884-886	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	Innermost	1.92	1.11	0.77	0.72	0.65	0.55	0.49	38.96	11.51	4.31	2.16	1.06	2.1	1.13	38.96	11.44	4.11	2	0.96	0.49	0.24	1	2	4	8	16	8	16	NA	NA	1	NA	NA	1	1.01	1.05	1.08	1.1	1.07	1.16	NA	NA	NA	NA	NA	1	0	1.7	0	2.37	0	2.44	0	2.54	0	2.48	0	2.54	0
1891	libgromacs_mpi.so.7.0.0 - kernel_prune.cpp:115-181 [...]	nbnxn_kernel_prune_4xn(NbnxnPairlistCpu, nbnxn_atomdata_t const, gmx::ArrayRef<gmx::BasicVector<float> const>, float)	Innermost	1.71	1.7	1.67	1.64	1.51	1.37	1.21	34.72	17.7	9.24	4.86	2.39	1.75	0.89	34.72	17.57	8.88	4.54	2.24	1.23	0.6	1	2	4	8	16	24	48	89.74	46.79	1.03	1.61	2	1	1.01	1.04	1.07	1.07	1.08	1.11	NA	NA	NA	NA	NA	1	0	0.99	0.02	0.98	0.04	0.96	0.07	0.97	0.05	0.88	0.16	0.9	0.12
19598	libgromacs_mpi.so.7.0.0 - vectypes.h:102-102 [...]	gather_f_bsplines(gmx_pme_t const, float const, bool, PmeAtomComm const, splinedata_t const, float)	InBetween	1.65	1.59	1.51	1.47	1.35	1.15	1.02	33.36	16.91	9.02	4.31	2.28	4.49	2.24	33.36	16.45	8.04	4.09	2.01	1.03	0.51	1	2	4	8	16	8	16	70.51	38.54	1.64	2.18	3.02	1	1.03	1.12	1.05	1.13	1.1	1.11	NA	NA	NA	NA	NA	1	0	1.01	0	1.04	0	1.02	0	1.04	0	1.01	0	1.02	0
1330	libgromacs_mpi.so.7.0.0 - kernel_outer.h:624-624 [...]	nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	1.42	1.36	1.34	1.29	1.29	1.01	1.02	28.78	14.46	9.22	4.77	9.13	5.06	3.77	28.78	14.06	7.11	3.57	1.92	0.9	0.51	1	2	4	8	8	15	22	99.01	50.86	1	1.62	2	1	1.03	1.3	1.34	2.38	2.65	2.56	NA	NA	NA	NA	NA	1	0	1.02	0	1.01	0	1.01	0	0.94	0.08	1	0	0.88	0.12
1331	libgromacs_mpi.so.7.0.0 - kernel_outer.h:584-587 [...]	nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Single	1.31	1.3	1.31	1.25	1.2	1.05	0.96	26.49	14.35	8.89	4.44	2.46	1.73	0.93	26.49	13.44	6.94	3.48	1.79	0.94	0.48	1	2	4	8	16	24	48	98.94	50.26	1	1.5	2	1	1.07	1.28	1.28	1.37	1.4	1.48	NA	NA	NA	NA	NA	1	0	0.99	0.02	0.95	0.06	0.95	0.06	0.92	0.09	0.88	0.13	0.86	0.13
19855	libgromacs_mpi.so.7.0.0 - pme_spread.cpp:358-400 [...]	spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone ._omp_fn.1]	InBetween	1.26	1.24	1.16	1.13	1.08	0.86	0.79	25.5	13.27	6.85	3.42	1.76	3.28	1.7	25.5	12.75	6.17	3.15	1.6	0.77	0.39	1	2	4	8	16	8	16	78.89	42.22	2.85	1.79	5.48	1	1.04	1.11	1.09	1.1	1.08	1.09	NA	NA	NA	NA	NA	1	0	1	0	1.03	0	1.01	0	1	0	1.03	0	1.02	0
19868	libgromacs_mpi.so.7.0.0 - pme_spread.cpp:277-292 [...]	spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone ._omp_fn.1]	Outermost	1.24	1.24	1.22	1.16	1.1	0.91	0.82	25.23	13.08	7.11	3.69	1.82	3.41	1.81	25.23	12.79	6.5	3.23	1.63	0.81	0.41	1	2	4	8	16	8	16	27.12	24.15	3.29	1	5.6	1	1.02	1.1	1.14	1.12	1.06	1.12	NA	NA	NA	NA	NA	1	0	0.99	0.02	0.97	0.04	0.98	0.03	0.97	0.04	0.97	0.02	0.96	0.03
1327	libgromacs_mpi.so.7.0.0 - kernel_outer.h:602-605 [...]	nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	1.1	1.09	1.08	1.08	0.97	0.84	0.74	22.38	12.85	8.13	4.5	2.72	1.93	1.51	22.38	11.21	5.77	2.99	1.44	0.75	0.37	1	2	4	8	16	24	47	98.99	50.13	1	1.52	2	1	1.15	1.41	1.51	1.89	1.93	3.02	NA	NA	NA	NA	NA	1	0	1	0	0.97	0.03	0.94	0.07	0.97	0.03	0.93	0.06	0.95	0.04
19118	libgromacs_mpi.so.7.0.0 - bonded.cpp:1151-1178 [...]	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	0.82	0.8	0.79	0.77	0.7	0.64	0.56	16.71	9.45	5.39	2.93	1.94	1.44	1.1	16.71	8.24	4.23	2.14	1.04	0.57	0.28	1	2	4	8	16	24	45	90.24	46.34	1	1.31	2.1	1	1.15	1.27	1.37	1.87	1.92	2.82	NA	NA	NA	NA	NA	1	0	1.01	0	0.99	0.01	0.98	0.02	1	0	0.92	0.05	0.93	0.04
17014	libgromacs_mpi.so.7.0.0 - lincs.cpp:276-287 [...]	gmx::lincs_matrix_expand(gmx::Lincs const&, gmx::Task const&, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<float>) [clone .isra.0]	InBetween	0.76	0.85	0.86	0.91	0.6	0.5	0.4	15.42	9.6	6.48	3.82	1.88	1.39	1.05	15.42	8.79	4.59	2.54	0.9	0.45	0.2	1	2	4	8	16	24	44	0	12.5	1.7	1	8	1	1.09	1.41	1.5	2.11	2.36	3.62	NA	NA	NA	NA	NA	1	0	0.88	0.1	0.84	0.14	0.76	0.22	1.07	0	1.07	0	1.2	0
17376	libgromacs_mpi.so.7.0.0 - settle.cpp:423-431 [...]	void gmx::settleTemplate<gmx::SimdFloat, gmx::SimdFBool, 4, float const, true, false>(gmx::SettleData const&, int, int, float const, float const, float, float, float, float () [3], bool*) [clone .constprop.0]	Single	0.6	0.55	0.56	0.54	0.48	0.43	0.4	12.08	6.18	3.74	2.14	1.02	0.79	0.46	12.08	5.72	2.99	1.5	0.72	0.38	0.2	1	2	4	8	16	24	48	89.21	47.66	1	1.38	1.62	1	1.08	1.25	1.43	1.44	1.55	1.77	NA	NA	NA	NA	NA	1	0	1.06	0	1.01	0	1.01	0	1.05	0	0.99	0	0.94	0.02
19193	libgromacs_mpi.so.7.0.0 - bonded.cpp:2066-2124 [...]	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	0.58	0.56	0.53	0.49	0.49	0.41	0.38	11.71	6.8	4.13	2.2	1.51	0.99	0.82	11.71	5.74	2.82	1.37	0.73	0.36	0.19	1	2	4	8	16	24	43	73.91	42.09	1.57	1.36	1.34	1	1.18	1.46	1.61	2.1	2.06	2.93	NA	NA	NA	NA	NA	1	0	1.02	0	1.04	0	1.07	0	1	0	1.02	0	0.96	0.01
1326	libgromacs_mpi.so.7.0.0 - arm_neon.h:786-30236 [...]	nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	InBetween	0.48	0.5	0.57	0.67	0.62	0.65	0.7	9.8	5.31	3.17	2.07	1.2	1.05	0.62	9.8	5.14	3.06	1.85	0.92	0.58	0.35	1	2	4	8	16	24	48	75.68	47.84	1.24	1.23	1.36	1	1.03	1.04	1.12	1.3	1.36	1.35	NA	NA	NA	NA	NA	1	0	0.95	0.02	0.8	0.11	0.66	0.23	0.67	0.21	0.53	0.31	0.44	0.39
19801	libgromacs_mpi.so.7.0.0 - pme_solve.cpp:234-234 [...]	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Innermost	0.35	0.32	0.32	0.31	0.3	0.25	0.21	7	3.32	1.81	0.93	0.54	0.93	0.47	7	3.27	1.73	0.86	0.44	0.22	0.1	1	2	4	8	16	8	16	98.46	49.42	1	1.44	2.03	1	1.02	1.05	1.08	1.23	1.06	1.15	NA	NA	NA	NA	NA	1	0	1.07	0	1.01	0	1.02	0	0.99	0	0.99	0	1.09	0
19944	libgromacs_mpi.so.7.0.0 - fft5d.cpp:947-949	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	Innermost	0.35	0.34	0.33	0.3	0.26	0.25	0.19	7.04	3.63	1.84	0.94	0.45	0.97	0.47	7.04	3.52	1.73	0.84	0.38	0.22	0.1	1	2	4	8	16	8	16	NA	NA	1	NA	NA	1	1.03	1.06	1.12	1.18	1.1	1.24	NA	NA	NA	NA	NA	1	0	1	0	1.02	0	1.05	0	1.16	0	1	0	1.1	0
3054	libgromacs_mpi.so.7.0.0 - pairlist_simd_4xm.h:135-277 [...]	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t, gmx::ListOfLists<int> const&, int, t_nrnb, SearchCycleCounting*) [clone ._omp_fn.0]	InBetween	0.35	0.36	0.4	0.41	0.56	0.53	0.49	7.14	4.07	2.15	1.24	1.09	0.76	0.42	7.14	3.76	2.11	1.15	0.84	0.47	0.25	1	2	4	8	16	24	48	8.79	17.72	7.37	1	7.52	1	1.08	1.02	1.08	1.31	1.21	1.31	NA	NA	NA	NA	NA	1	0	0.95	0.02	0.85	0.06	0.78	0.09	0.53	0.26	0.47	0.28	0.45	0.27
19399	libgromacs_mpi.so.7.0.0 - pairs.cpp:863-894 [...]	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>, gmx::ArrayRef<float>, gmx::ArrayRef<bool>, gmx::ArrayRef<unsigned short>, ...	Single	0.34	0.34	0.33	0.31	0.29	0.25	0.25	6.98	4.13	2.4	1.39	0.75	0.6	0.46	6.98	3.54	1.74	0.85	0.43	0.22	0.12	1	2	4	8	16	22	44	69.54	38.58	1.68	1.54	4.04	1	1.17	1.38	1.64	1.74	1.88	2.56	NA	NA	NA	NA	NA	1	0	0.99	0	1	0	1.03	0	1.01	0	0.99	0	0.91	0.02
3061	libgromacs_mpi.so.7.0.0 - pairlist_simd_4xm.h:136-195 [...]	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t, gmx::ListOfLists<int> const&, int, t_nrnb, SearchCycleCounting*) [clone ._omp_fn.0]	Innermost	0.3	0.29	0.29	0.31	0.27	0.24	0.23	6.03	3.16	1.63	0.92	0.47	0.39	0.22	6.03	3.01	1.54	0.87	0.4	0.21	0.11	1	2	4	8	16	24	48	78.57	44.87	1.19	1.31	1.81	1	1.05	1.06	1.06	1.17	1.39	1.47	NA	NA	NA	NA	NA	1	0	1	0	0.98	0.01	0.87	0.04	0.94	0.02	0.9	0.02	0.86	0.03
17017	libgromacs_mpi.so.7.0.0 - lincs.cpp:276-287 [...]	gmx::lincs_matrix_expand(gmx::Lincs const&, gmx::Task const&, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<float>) [clone .isra.0]	InBetween	0.27	0.32	0.36	0.42	0.32	0.29	0.22	5.47	3.66	2.71	1.66	1.02	0.84	0.65	5.47	3.31	1.9	1.17	0.48	0.26	0.11	1	2	4	8	16	23	42	0	12.5	1.7	1	8	1	1.11	1.43	1.42	2.13	2.33	3.82	NA	NA	NA	NA	NA	1	0	0.83	0.06	0.72	0.1	0.58	0.17	0.71	0.09	0.66	0.1	0.78	0.05
19892	libgromacs_mpi.so.7.0.0 - pme_spread.cpp:104-145 [...]	spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone ._omp_fn.0]	Innermost	0.26	0.25	0.26	0.25	0.24	0.2	0.18	5.18	2.58	1.46	0.76	0.45	0.78	0.44	5.18	2.57	1.39	0.7	0.36	0.18	0.09	1	2	4	8	16	8	16	0	12.5	2.16	1	8	1	1	1.05	1.09	1.25	1.11	1.22	NA	NA	NA	NA	NA	1	0	1.01	0	0.93	0.02	0.93	0.02	0.9	0.02	0.9	0.02	0.9	0.02
17008	libgromacs_mpi.so.7.0.0 - lincs.cpp:368-383 [...]	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	0.25	0.25	0.26	0.28	0.24	0.22	0.21	4.99	2.71	1.6	1.03	0.72	0.49	0.42	4.99	2.56	1.39	0.78	0.35	0.19	0.1	1	2	4	8	16	24	44	NA	NA	NA	NA	NA	1	1.06	1.15	1.32	2.06	1.88	2.8	NA	NA	NA	NA	NA	1	0	0.97	0.01	0.9	0.03	0.8	0.06	0.89	0.03	0.82	0.04	0.78	0.05
19597	libgromacs_mpi.so.7.0.0 - pme_gather.cpp:323-334	gather_f_bsplines(gmx_pme_t const, float const, bool, PmeAtomComm const, splinedata_t const, float)	Innermost	0.25	0.28	0.28	0.26	0.23	0.21	0.19	5.15	2.95	1.64	0.87	0.44	0.82	0.47	5.15	2.87	1.48	0.71	0.34	0.19	0.1	1	2	4	8	16	8	16	0	15	3.5	1	7	1	1.03	1.11	1.23	1.29	1.11	1.24	NA	NA	NA	NA	NA	1	0	0.9	0.03	0.87	0.04	0.91	0.02	0.95	0.01	0.85	0.03	0.8	0.04
19636	libgromacs_mpi.so.7.0.0 - pme_grid.cpp:303-309 [...]	copy_pmegrid_to_fftgrid(gmx_pme_t const, float const, float*, int)	Innermost	0.22	0.24	0.24	0.22	0.23	0.17	0.18	4.52	2.58	1.35	0.77	0.44	0.73	0.47	4.52	2.45	1.28	0.62	0.35	0.15	0.09	1	2	4	8	16	8	16	100	50	1	1	2	1	1.05	1.06	1.24	1.29	1.22	1.31	NA	NA	NA	NA	NA	1	0	0.92	0.02	0.88	0.03	0.91	0.02	0.81	0.04	0.94	0.01	0.78	0.04
1337	libgromacs_mpi.so.7.0.0 - kernel_outer.h:584-587 [...]	nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Single	0.2	0.19	0.2	0.19	0.2	0.15	0.15	4.05	2.14	1.27	0.69	0.47	0.28	0.18	4.05	2.01	1.08	0.53	0.3	0.14	0.07	1	2	4	8	16	24	48	99.36	50.4	1	1.23	2	1	1.07	1.18	1.3	1.57	1.56	1.8	NA	NA	NA	NA	NA	1	0	1.01	0	0.94	0.01	0.96	0.01	0.84	0.03	0.9	0.01	0.9	0.01
1335	libgromacs_mpi.so.7.0.0 - kernel_outer.h:602-605 [...]	nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	0.19	0.19	0.19	0.21	0.17	0.15	0.13	3.9	2.27	1.4	0.89	0.5	0.36	0.31	3.9	1.96	1.03	0.58	0.25	0.13	0.06	1	2	4	8	16	22	44	99.42	50.51	1	1.31	2	1	1.16	1.36	1.56	2	1.89	3.44	NA	NA	NA	NA	NA	1	0	0.99	0	0.95	0.01	0.84	0.03	0.97	0	0.94	0.01	1.02	0
17040	libgromacs_mpi.so.7.0.0 - lincs.cpp:798-798 [...]	gmx::constrain_lincs(bool, t_inputrec const&, long, gmx::Lincs, gmx::ArrayRef<float const>, t_commrec const, gmx_multisim_t const*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVecto...	Single	0.19	0.21	0.2	0.21	0.2	0.18	0.17	3.91	2.26	1.42	0.71	0.55	0.41	0.31	3.91	2.12	1.05	0.57	0.29	0.16	0.08	1	2	4	8	16	24	45	92.06	47.62	1	1.23	2.09	1	1.07	1.37	1.25	1.9	1.95	2.58	NA	NA	NA	NA	NA	1	0	0.92	0.02	0.93	0.01	0.86	0.03	0.84	0.03	0.76	0.04	0.76	0.04
1340	libgromacs_mpi.so.7.0.0 - kernel_outer.h:624-624 [...]	nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Single	0.18	0.17	0.16	0.17	0.17	0.12	0.13	3.62	1.87	1.06	0.67	1.27	0.63	0.55	3.62	1.71	0.85	0.46	0.26	0.11	0.07	1	2	4	8	8	8	16	99.26	50.65	1	1.62	2	1	1.09	1.25	1.46	2.44	1.5	2.12	NA	NA	NA	NA	NA	1	0	1.06	0	1.06	0	0.98	0	0.87	0.02	1.03	0	0.81	0.02
17037	libgromacs_mpi.so.7.0.0 - lincs.cpp:1085-1089 [...]	gmx::constrain_lincs(bool, t_inputrec const&, long, gmx::Lincs, gmx::ArrayRef<float const>, t_commrec const, gmx_multisim_t const*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVecto...	Outermost	0.17	0.2	0.21	0.23	0.21	0.19	0.18	3.44	2.24	1.39	0.89	0.59	0.53	0.38	3.44	2.02	1.1	0.63	0.32	0.17	0.09	1	2	4	8	16	22	43	25.81	15.73	1.25	1	6.32	1	1.11	1.26	1.41	1.9	2.12	2.92	NA	NA	NA	NA	NA	1	0	0.85	0.03	0.78	0.05	0.68	0.07	0.67	0.07	0.63	0.07	0.6	0.07
19641	libgromacs_mpi.so.7.0.0 - pme_grid.cpp:402-404	copy_fftgrid_to_pmegrid(gmx_pme_t, float const, float*, int, int, int)	Innermost	0.13	0.14	0.14	0.13	0.14	0.1	0.1	2.73	1.54	0.83	0.43	0.26	0.36	0.23	2.73	1.48	0.76	0.35	0.21	0.09	0.05	1	2	4	8	16	8	16	100	50	1	1	2	1	1.04	1.09	1.23	1.24	1.06	1.15	NA	NA	NA	NA	NA	1	0	0.92	0.01	0.9	0.01	0.98	0	0.81	0.03	0.95	0.01	0.85	0.01
1329	libgromacs_mpi.so.7.0.0 - kernel_outer.h:618-621 [...]	nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	0.12	0.11	0.12	0.11	0.11	0.08	0.08	2.49	1.22	0.87	0.49	0.81	0.48	0.41	2.49	1.18	0.62	0.3	0.16	0.08	0.04	1	2	4	8	8	9	17	98.17	50.69	1	1.58	2	1	1.03	1.4	1.63	2.61	1.78	2.56	NA	NA	NA	NA	NA	1	0	1.06	0	1	0	1.04	0	0.97	0	0.97	0	0.97	0
3059	libgromacs_mpi.so.7.0.0 - pairlist_simd_4xm.h:204-262 [...]	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t, gmx::ListOfLists<int> const&, int, t_nrnb, SearchCycleCounting*) [clone ._omp_fn.0]	Innermost	0.11	0.12	0.11	0.12	0.14	0.13	0.11	2.16	1.26	0.65	0.4	0.29	0.2	0.11	2.16	1.2	0.61	0.33	0.21	0.11	0.05	1	2	4	8	16	24	48	80	45.45	1.13	1.33	1.72	1	1.06	1.07	1.25	1.38	1.33	1.57	NA	NA	NA	NA	NA	1	0	0.9	0.01	0.89	0.01	0.82	0.02	0.64	0.05	0.61	0.05	0.68	0.04
17029	libgromacs_mpi.so.7.0.0 - lincs.cpp:919-919 [...]	gmx::constrain_lincs(bool, t_inputrec const&, long, gmx::Lincs, gmx::ArrayRef<float const>, t_commrec const, gmx_multisim_t const*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVecto...	Innermost	0.11	0.11	0.11	0.13	0.11	0.1	0.11	2.26	1.21	0.72	0.5	0.39	0.26	0.18	2.26	1.1	0.61	0.35	0.17	0.09	0.05	1	2	4	8	16	22	42	94.59	47.97	1	1.22	2	1	1.1	1.18	1.43	2.29	2	2.25	NA	NA	NA	NA	NA	1	0	1.03	0	0.93	0.01	0.81	0.03	0.83	0.02	0.78	0.02	0.71	0.03
19802	libgromacs_mpi.so.7.0.0 - pme_solve.cpp:499-511	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Single	0.1	0.12	0.11	0.11	0.1	0.08	0.07	1.98	1.2	0.63	0.33	0.18	0.36	0.21	1.98	1.19	0.57	0.31	0.15	0.08	0.04	1	2	4	8	16	8	16	61.82	34.77	1.57	1.79	4	1	1.01	1.11	1.06	1.2	1.2	1.5	NA	NA	NA	NA	NA	1	0	0.83	0.02	0.87	0.01	0.8	0.02	0.83	0.02	0.77	0.02	0.77	0.02
19200	libgromacs_mpi.so.7.0.0 - cmath:464-464 [...]	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...	InBetween	0.1	0.1	0.11	0.09	0.08	0.07	0.07	2.1	1.25	0.75	0.37	0.27	0.19	0.18	2.1	1.08	0.56	0.26	0.13	0.06	0.03	1	2	4	8	15	22	40	25.93	15.74	1.27	1	7.57	1	1.16	1.34	1.42	2.08	2.11	3.6	NA	NA	NA	NA	NA	1	0	0.97	0	0.94	0.01	1.01	0	1.01	0	1.09	0	1.09	0
1927	libgromacs_mpi.so.7.0.0 - atomdata.cpp:193-203	copy_rvec_to_nbat_real(int const, int, int, float const () [3], int, float*, int)	Innermost	0.09	0.12	0.12	0.18	0.21	0.17	0.2	1.73	1.25	0.77	0.57	0.4	0.3	0.18	1.73	1.2	0.64	0.49	0.32	0.16	0.1	1	2	4	8	16	24	48	0	12.5	1.81	1	8	1	1.05	1.2	1.16	1.25	1.43	1.38	NA	NA	NA	NA	NA	1	0	0.72	0.03	0.68	0.04	0.44	0.1	0.34	0.14	0.34	0.11	0.27	0.15
1907	libgromacs_mpi.so.7.0.0 - atomdata.cpp:1163-1169 [...]	reduceForces(nbnxn_atomdata_t, gmx::AtomLocality, Nbnxm::GridSet const&, float () [3]) [clone ._omp_fn.0]	Innermost	0.09	0.12	0.14	0.18	0.17	0.17	0.18	1.89	1.28	0.8	0.56	0.35	0.31	0.17	1.89	1.22	0.75	0.5	0.25	0.15	0.09	1	2	4	8	16	24	48	14.29	14.29	1.77	1	8	1	1.05	1.07	1.12	1.4	1.55	1.42	NA	NA	NA	NA	NA	1	0	0.77	0.03	0.63	0.05	0.47	0.09	0.47	0.09	0.39	0.1	0.33	0.12
19795	libgromacs_mpi.so.7.0.0 - pme_solve.cpp:534-543	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Innermost	0.09	0.09	0.09	0.09	0.08	0.06	0.06	1.8	0.96	0.53	0.29	0.16	0.26	0.18	1.8	0.96	0.48	0.25	0.12	0.05	0.03	1	2	4	8	16	8	16	97.44	49.04	1	1.45	2.03	1	1	1.1	1.16	1.33	1.18	1.5	NA	NA	NA	NA	NA	1	0	0.94	0.01	0.94	0.01	0.9	0.01	0.94	0	1.13	0	0.94	0
19800	libgromacs_mpi.so.7.0.0 - pme_solve.cpp:555-561	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Innermost	0.08	0.08	0.08	0.08	0.07	0.06	0.05	1.67	0.89	0.47	0.27	0.13	0.23	0.13	1.67	0.79	0.42	0.23	0.1	0.05	0.03	1	2	4	8	16	8	16	60	35	1.5	1.5	4	1	1.13	1.12	1.17	1.3	1.15	1.18	NA	NA	NA	NA	NA	1	0	1.06	0	0.99	0	0.91	0.01	1.04	0	1.04	0	0.87	0.01
19798	libgromacs_mpi.so.7.0.0 - pme_solve.cpp:522-531	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Innermost	0.08	0.08	0.08	0.07	0.08	0.06	0.05	1.64	0.87	0.46	0.23	0.18	0.25	0.14	1.64	0.84	0.42	0.19	0.11	0.05	0.03	1	2	4	8	16	8	16	96	48.5	1	1.49	2.06	1	1.04	1.1	1.21	1.64	1.25	1.4	NA	NA	NA	NA	NA	1	0	0.98	0	0.98	0	1.08	0	0.93	0.01	1.02	0	0.85	0.01
3057	libgromacs_mpi.so.7.0.0 - stl_vector.h:919-1198 [...]	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t, gmx::ListOfLists<int> const&, int, t_nrnb, SearchCycleCounting*) [clone ._omp_fn.0]	Innermost	0.08	0.07	0.07	0.06	0.05	0.04	0.03	1.72	0.7	0.43	0.21	0.1	0.07	0.05	1.72	0.69	0.38	0.18	0.08	0.04	0.02	1	2	4	8	16	24	47	0	15.63	1	1	6.6	1	1.01	1.13	1.17	1.25	1.4	2.5	NA	NA	NA	NA	NA	1	0	1.25	0	1.13	0	1.19	0	1.34	0	1.34	0	1.34	0
17120	libgromacs_mpi.so.7.0.0 - 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 ._omp_fn.0]	Innermost	0.07	0.07	0.07	0.06	0.06	0.05	0.05	1.46	0.72	0.4	0.22	0.13	0.1	0.07	1.46	0.69	0.38	0.18	0.09	0.05	0.02	1	2	4	8	16	24	48	20.59	15.07	1.12	1	6.76	1	1.04	1.08	1.22	1.44	1.67	2.33	NA	NA	NA	NA	NA	1	0	1.06	0	0.96	0	1.01	0	1.01	0	0.91	0	1.14	0
17378	libgromacs_mpi.so.7.0.0 - settle.cpp:423-674 [...]	void gmx::settleTemplate<gmx::SimdFloat, gmx::SimdFBool, 4, float const, true, true>(gmx::SettleData const&, int, int, float const, float const, float, float, float, float () [3], bool*)	Single	0.07	0.07	0.07	0.06	0.05	0.05	0.04	1.45	0.76	0.55	0.23	0.15	0.1	0.06	1.45	0.75	0.4	0.17	0.08	0.04	0.02	1	2	4	8	16	24	47	90.68	48.99	1	1.41	1.84	1	1.01	1.38	1.35	1.88	1.67	2	NA	NA	NA	NA	NA	1	0	0.97	0	0.91	0.01	1.07	0	1.13	0	1.13	0	1.13	0
17593	libgromacs_mpi.so.7.0.0 - update.cpp:481-481 [...]	gmx::Update::Impl::update_coords(t_inputrec const&, long, int, bool, gmx::ArrayRef<ParticleType const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const [3]>, t_state*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> co...	Single	0.07	0.09	0.12	0.08	0.12	0.08	0.08	1.41	0.99	0.71	0.24	0.25	0.15	0.1	1.41	0.96	0.62	0.21	0.17	0.07	0.04	1	2	4	8	16	24	48	89.19	45.95	1	1.13	2.25	1	1.03	1.15	1.14	1.47	1.67	2	NA	NA	NA	NA	NA	1	0	0.73	0.02	0.57	0.05	0.84	0.01	0.52	0.06	0.63	0.03	0.55	0.04
1334	libgromacs_mpi.so.7.0.0 - arm_neon.h:786-30236 [...]	nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	InBetween	0.07	0.07	0.08	0.09	0.09	0.09	0.09	1.35	0.79	0.48	0.31	0.17	0.13	0.1	1.35	0.77	0.42	0.24	0.13	0.08	0.05	1	2	4	8	16	24	48	70.68	43.32	1.16	1.11	1.56	1	1.03	1.14	1.29	1.31	1.3	1.67	NA	NA	NA	NA	NA	1	0	0.88	0.01	0.8	0.02	0.7	0.03	0.65	0.03	0.53	0.04	0.42	0.05
3060	libgromacs_mpi.so.7.0.0 - pairlist_simd_4xm.h:136-146 [...]	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t, gmx::ListOfLists<int> const&, int, t_nrnb, SearchCycleCounting*) [clone ._omp_fn.0]	Innermost	0.07	0.08	0.08	0.08	0.08	0.07	0.07	1.5	0.86	0.43	0.24	0.17	0.12	0.08	1.5	0.83	0.4	0.21	0.12	0.06	0.03	1	2	4	8	16	24	48	62.5	39.06	1	1.47	1.57	1	1.05	1.07	1.14	1.42	1.5	1.6	NA	NA	NA	NA	NA	1	0	0.9	0.01	0.94	0.01	0.89	0.01	0.78	0.02	0.78	0.02	0.78	0.02
19793	libgromacs_mpi.so.7.0.0 - pme_solve.cpp:98-587 [...]	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	InBetween	0.06	0.05	0.06	0.05	0.05	0.04	0.04	1.16	0.58	0.35	0.18	0.09	0.16	0.11	1.16	0.55	0.3	0.15	0.08	0.03	0.02	1	2	4	8	16	8	16	52.38	30.11	2.22	2.05	1.35	1	1.05	1.17	1.2	1.13	1.14	1.38	NA	NA	NA	NA	NA	1	0	1.05	0	0.97	0	0.97	0	0.91	0	1.21	0	0.91	0
19112	libgromacs_mpi.so.7.0.0 - bonded.cpp:129-1867 [...]	void do_dih_fup<(BondedKernelFlavor)2>(int, int, int, int, float, float, float, float, float, float, float () [4], float () [3], t_pbc const, float const (*) [3], int, int, int) [clone .isra.0]	Single	0.06	0.05	0.06	0.05	0.05	0.04	0.04	1.17	0.61	0.45	0.21	0.14	0.11	0.08	1.17	0.55	0.3	0.14	0.07	0.03	0.02	1	2	4	8	15	22	38	31.34	21.64	1.3	1.21	5.22	1	1.13	1.5	1.5	2	2.2	2	NA	NA	NA	NA	NA	1	0	1.06	0	0.97	0	1.04	0	1.04	0	1.22	0	0.91	0
19400	libgromacs_mpi.so.7.0.0 - pairs.cpp:606-824 [...]	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>, gmx::ArrayRef<float>, gmx::ArrayRef<bool>, gmx::ArrayRef<unsigned short>, ...	Single	0.06	0.06	0.06	0.06	0.06	0.04	0.04	1.21	0.7	0.44	0.27	0.21	0.11	0.09	1.21	0.57	0.3	0.15	0.08	0.04	0.02	1	2	4	8	15	22	42	12.05	15.66	1.97	1.58	7.11	1	1.23	1.47	1.8	2.33	1.83	3	NA	NA	NA	NA	NA	1	0	1.06	0	1.01	0	1.01	0	0.95	0	0.95	0	0.95	0
19809	libgromacs_mpi.so.7.0.0 - pme_solve.cpp:441-454	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Single	0.05	0.04	0.04	0.04	0.04	0.03	0.03	0.93	0.41	0.22	0.15	0.08	0.17	0.08	0.93	0.37	0.21	0.1	0.06	0.03	0.01	1	2	4	8	16	8	16	0	12.5	1.42	1	8	1	1.11	1.05	1.5	1.33	1.55	1.33	NA	NA	NA	NA	NA	1	0	1.26	0	1.11	0	1.16	0	0.97	0	0.97	0	1.45	0
19194	libgromacs_mpi.so.7.0.0 - bonded.cpp:2179-2254 [...]	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	0.05	0.05	0.05	0.04	0.04	0.04	0.03	1.09	0.56	0.37	0.18	0.24	0.2	0.15	1.09	0.5	0.24	0.11	0.05	0.03	0.02	1	2	4	8	8	8	16	77.05	41.75	1.47	1.32	1.52	1	1.12	1.54	1.64	2.18	1.54	2.5	NA	NA	NA	NA	NA	1	0	1.09	0	1.14	0	1.24	0	1.36	0	1.14	0	0.85	0
19234	libgromacs_mpi.so.7.0.0 - 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	0.05	0.04	0.04	0.04	0.04	0.03	0.03	1.03	0.52	0.33	0.22	0.12	0.08	0.06	1.03	0.45	0.21	0.12	0.06	0.03	0.01	1	2	4	8	14	22	37	20	15.63	1.74	1	7.38	1	1.16	1.57	1.83	1.71	2	3	NA	NA	NA	NA	NA	1	0	1.14	0	1.23	0	1.07	0	1.07	0	1.07	0	1.61	0
19808	libgromacs_mpi.so.7.0.0 - pme_solve.cpp:457-470	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Single	0.05	0.05	0.05	0.05	0.04	0.03	0.03	1	0.47	0.29	0.18	0.08	0.16	0.08	1	0.47	0.27	0.13	0.06	0.03	0.02	1	2	4	8	16	8	16	0	12.5	1.42	1	8	1	1	1.07	1.38	1.33	1.33	1.33	NA	NA	NA	NA	NA	1	0	1.06	0	0.93	0	0.96	0	1.04	0	1.04	0	0.78	0.01
3058	libgromacs_mpi.so.7.0.0 - pairlist_simd_4xm.h:204-214 [...]	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t, gmx::ListOfLists<int> const&, int, t_nrnb, SearchCycleCounting*) [clone ._omp_fn.0]	Innermost	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.74	0.5	0.25	0.14	0.09	0.07	0.05	0.74	0.45	0.2	0.11	0.07	0.03	0.02	1	2	4	8	16	24	48	66.67	40.83	1	1.5	1.51	1	1.11	1.25	1.27	1.5	1.75	2.5	NA	NA	NA	NA	NA	1	0	0.82	0.01	0.92	0	0.84	0.01	0.66	0.01	0.77	0.01	0.58	0.02
17551	libgromacs_mpi.so.7.0.0 - update.cpp:1641-1641	gmx::Update::Impl::finish_update(t_inputrec const&, bool, int, gmx::ArrayRef<unsigned short const>, t_state, gmx_wallcycle, bool) [clone ._omp_fn.0]	Innermost	0.04	0.04	0.04	0.04	0.04	0.03	0.03	0.8	0.45	0.23	0.13	0.1	0.09	0.05	0.79	0.45	0.21	0.11	0.05	0.03	0.01	1	2	4	8	16	24	46	NA	NA	1	NA	NA	1	1	1.1	1.18	2	3	2.5	NA	NA	NA	NA	NA	1	0	0.88	0	0.94	0	0.9	0	0.99	0	0.82	0.01	1.23	0
3050	libgromacs_mpi.so.7.0.0 - pairlist.cpp:1305-1420 [...]	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t, gmx::ListOfLists<int> const&, int, t_nrnb, SearchCycleCounting*) [clone ._omp_fn.0]	Innermost	0.04	0.04	0.05	0.05	0.04	0.03	0.03	0.84	0.47	0.32	0.18	0.13	0.07	0.05	0.84	0.44	0.26	0.13	0.05	0.03	0.02	1	2	4	8	16	24	46	0	13.54	1	1	7.56	1	1.09	1.28	1.38	2.6	1.75	2.5	NA	NA	NA	NA	NA	1	0	0.95	0	0.81	0.01	0.81	0.01	1.05	0	0.88	0	0.66	0.01
3045	libgromacs_mpi.so.7.0.0 - 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 ._omp_fn.0]	InBetween	0.03	0.03	0.03	0.03	0.04	0.04	0.04	0.63	0.3	0.2	0.12	0.08	0.08	0.05	0.63	0.3	0.17	0.1	0.07	0.03	0.02	1	2	4	8	16	24	48	21.8	22.27	4.97	2.15	7.25	1	1.03	1.18	1.2	1.14	1.6	1.67	NA	NA	NA	NA	NA	1	0	1.05	0	0.93	0	0.79	0.01	0.56	0.02	0.66	0.01	0.49	0.02
19805	libgromacs_mpi.so.7.0.0 - pme_solve.cpp:234-234 [...]	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Single	0.03	0.04	0.04	0.03	0.03	0.03	0.02	0.71	0.45	0.23	0.11	0.08	0.13	0.07	0.71	0.4	0.2	0.08	0.05	0.02	0.01	1	2	4	8	16	8	16	98.46	49.42	1	1.44	2.03	1	1.13	1.15	1.38	1.6	1.3	1.75	NA	NA	NA	NA	NA	1	0	0.89	0	0.89	0	1.11	0	0.89	0	1.11	0	1.11	0
19949	libgromacs_mpi.so.7.0.0 - fft5d.cpp:880-886	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	InBetween	0.03	0.01	0.01	0.01	0.01	0.01	0.01	0.54	0.18	0.11	0.05	0.04	0.05	0.04	0.54	0.15	0.07	0.04	0.02	0.01	0	1	2	4	8	15	8	14	0	12.5	1	1	8	1	1.2	1.57	1.25	2	1.25	2	NA	NA	NA	NA	NA	1	0	1.8	0	1.93	0	1.69	0	1.69	0	1.69	0	1	0
16409	libgromacs_mpi.so.7.0.0 - calcvir.cpp:61-81 [...]	calc_x_times_f(int, float const () [3], float const () [3], bool, float const () [3], float () [3])	Single	0.03	0.02	0.03	0.02	0.03	0.02	0.02	0.56	0.22	0.15	0.06	0.06	0.04	0.04	0.56	0.19	0.13	0.05	0.04	0.02	0.01	1	2	4	8	16	24	43	0	12.8	1	1	8	1	1.16	1.15	1.2	1.5	2	4	NA	NA	NA	NA	NA	1	0	1.47	0	1.08	0	1.4	0	0.88	0	0.88	0	0.88	0
5132	libgromacs_mpi.so.7.0.0 - threaded_force_buffer.cpp:200-200 [...]	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	0.03	0.02	0.03	0.03	0.03	0.03	0.02	0.55	0.23	0.17	0.13	0.11	0.09	0.06	0.55	0.23	0.16	0.1	0.04	0.03	0.01	1	2	4	8	16	20	36	93.75	55.47	1	1.29	1.53	1	1	1.06	1.3	2.75	2.25	3	NA	NA	NA	NA	NA	1	0	1.2	0	0.86	0	0.69	0.01	0.86	0	0.57	0.01	0.86	0
1890	libgromacs_mpi.so.7.0.0 - kernel_prune.cpp:76-181 [...]	nbnxn_kernel_prune_4xn(NbnxnPairlistCpu, nbnxn_atomdata_t const, gmx::ArrayRef<gmx::BasicVector<float> const>, float)	InBetween	0.03	0.03	0.04	0.04	0.05	0.05	0.05	0.52	0.31	0.22	0.14	0.09	0.1	0.07	0.52	0.28	0.19	0.12	0.07	0.05	0.03	1	2	4	8	16	24	48	58.16	31.16	2.32	1	6.89	1	1.11	1.16	1.17	1.29	1.67	2.33	NA	NA	NA	NA	NA	1	0	0.93	0	0.68	0.01	0.54	0.02	0.46	0.03	0.33	0.03	0.27	0.04
3046	libgromacs_mpi.so.7.0.0 - pairlist.cpp:1981-1985	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t, gmx::ListOfLists<int> const&, int, t_nrnb, SearchCycleCounting*) [clone ._omp_fn.0]	Innermost	0.02	0.01	0.01	0.01	0.02	0.01	0.01	0.33	0.17	0.1	0.08	0.04	0.03	0.02	0.33	0.13	0.07	0.03	0.02	0.01	0.01	1	2	4	8	14	22	39	0	12.5	1	1	8	1	1.31	1.43	2.67	1.33	3	2	NA	NA	NA	NA	NA	1	0	1.27	0	1.18	0	1.38	0	1.03	0	1.03	0	0.52	0
19804	libgromacs_mpi.so.7.0.0 - pme_solve.cpp:486-496	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Single	0.02	0.02	0.01	0.01	0.01	0.01	0.01	0.3	0.19	0.06	0.04	0.04	0.05	0.04	0.3	0.17	0.06	0.03	0.02	0.01	0	1	2	4	8	16	8	15	81.82	43.18	1	1.5	2.21	1	1.12	1	1.33	2	1.25	2	NA	NA	NA	NA	NA	1	0	0.88	0	1.25	0	1.25	0	0.94	0	0.94	0	1	0
17581	libgromacs_mpi.so.7.0.0 - update.cpp:361-387 [...]	gmx::Update::Impl::update_coords(t_inputrec const&, long, int, bool, gmx::ArrayRef<ParticleType const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const [3]>, t_state*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> co...	Single	0.02	0.01	0.02	0.01	0.02	0.01	0.02	0.35	0.15	0.11	0.07	0.04	0.03	0.02	0.35	0.14	0.09	0.04	0.03	0.01	0.01	1	2	4	8	16	23	43	25.71	20	1.08	1.05	5.6	1	1.07	1.38	1.75	1.33	3	2	NA	NA	NA	NA	NA	1	0	1.25	0	0.97	0	1.09	0	0.73	0.01	1.09	0	0.55	0.01
5127	libgromacs_mpi.so.7.0.0 - threaded_force_buffer.cpp:171-211 [...]	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	0.02	0.02	0.02	0.02	0.02	0.02	0.02	0.38	0.22	0.12	0.11	0.07	0.05	0.04	0.38	0.18	0.1	0.06	0.03	0.01	0.01	1	2	4	8	14	20	36	33.75	28.59	2.53	2.06	1.33	1	1.22	1.2	1.83	2.33	2.5	4	NA	NA	NA	NA	NA	1	0	1.06	0	0.95	0	0.79	0	0.79	0	1.19	0	0.59	0.01
4136	libgromacs_mpi.so.7.0.0 - localtopology.cpp:416-576 [...]	int make_bondeds_zone<true>(gmx_reverse_top_t const&, gmx::ArrayRef<int const>, gmx_ga2la_t const&, gmx_domdec_zones_t const&, std::vector<gmx_molblock_t, std::allocator<gmx_molblock_t> > const&, bool, int const*, bo...	InBetween	0.02	0	0	0	0	0	0	0.42							0.42							1							0	16.35	1	1	7	1	0	0	0	0	0	0	NA	NA	NA	NA	NA	1	0
1339	libgromacs_mpi.so.7.0.0 - kernel_outer.h:618-621 [...]	nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Single	0.02	0.02	0.02	0.01	0.01	0.01	0.01	0.34	0.2	0.12	0.06	0.11	0.05	0.07	0.34	0.18	0.09	0.04	0.02	0.01	0.01	1	2	4	8	5	8	15	98.58	50.89	1	1.6	2	1	1.11	1.33	1.5	1.57	1.25	3.5	NA	NA	NA	NA	NA	1	0	0.94	0	0.94	0	1.06	0	1.06	0	1.06	0	0.53	0
19660	libgromacs_mpi.so.7.0.0 - pme_grid.cpp:436-442	wrap_periodic_pmegrid(gmx_pme_t const, float)	Outermost	0.02	0.02	0.01	0.02	0.01	0.01	0.01	0.33	0.22	0.09	0.06	0.04	0.05	0.04	0.33	0.21	0.07	0.04	0.02	0.01	0	1	2	4	8	15	8	16	0	16.03	1.8	1	5.68	1	1.05	1.29	1.5	2	1.25	2	NA	NA	NA	NA	NA	1	0	0.79	0	1.18	0	1.03	0	1.03	0	1.03	0	1	0
17039	libgromacs_mpi.so.7.0.0 - lincs.cpp:1087-1089 [...]	gmx::constrain_lincs(bool, t_inputrec const&, long, gmx::Lincs, gmx::ArrayRef<float const>, t_commrec const, gmx_multisim_t const*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVecto...	Innermost	0.02	0.03	0.03	0.04	0.03	0.04	0.03	0.47	0.37	0.3	0.21	0.11	0.1	0.07	0.47	0.32	0.19	0.12	0.05	0.03	0.02	1	2	4	7	16	21	34	18.52	14.81	1.15	1	6.89	1	1.16	1.67	1.62	2.2	2	2.33	NA	NA	NA	NA	NA	1	0	0.73	0.01	0.62	0.01	0.49	0.02	0.59	0.01	0.49	0.02	0.37	0.02
5533	libgromacs_mpi.so.7.0.0 - pbc.cpp:823-1083 [...]	pbc_dx_aiuc(t_pbc const, float const, float const, float)	Outermost	0.02	0.02	0.01	0.02	0.06	0.04	0.04	0.46	0.18	0.1	0.09	0.19	0.1	0.11	0.46	0.18	0.08	0.04	0.08	0.04	0.02	1	2	4	8	15	21	35	6.67	17.08	7.86	2.34	7.33	1	1	1.25	2.25	2.11	1.67	2.75	NA	NA	NA	NA	NA	1	0	1.28	0	1.44	0	1.44	0	0.36	0.04	0.36	0.03	0.36	0.03
19617	libgromacs_mpi.so.7.0.0 - pme_grid.cpp:529-539 [...]	unwrap_periodic_pmegrid(gmx_pme_t, float) [clone ._omp_fn.1]	InBetween	0.01	0.02	0.02	0.03	0.03	0.02	0.02	0.26	0.17	0.18	0.1	0.08	0.07	0.06	0.25	0.17	0.12	0.07	0.05	0.01	0.01	1	2	4	8	16	8	16	0	17.39	2.17	1	5.6	1	1.06	1.5	1.43	1.6	1.17	2	NA	NA	NA	NA	NA	1	0	0.74	0.01	0.52	0.01	0.45	0.02	0.31	0.02	0.78	0	0.39	0.01
3051	libgromacs_mpi.so.7.0.0 - arrayref.h:82-82 [...]	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t, gmx::ListOfLists<int> const&, int, t_nrnb, SearchCycleCounting*) [clone ._omp_fn.0]	Innermost	0.01	0.02	0.01	0.01	0.01	0.01	0.01	0.26	0.19	0.1	0.07	0.03	0.05	0.02	0.26	0.17	0.07	0.04	0.01	0.01	0	1	2	4	8	15	23	29	0	12.5	1	1	8	1	1.12	1.43	1.75	3	2.5	2	NA	NA	NA	NA	NA	1	0	0.76	0	0.93	0	0.81	0	1.63	0	0.81	0	1	0
2960	libgromacs_mpi.so.7.0.0 - pairlist.cpp:273-287	void get_cell_range<1>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int, int)	Outermost	0.01	0.02	0.01	0.01	0.03	0.02	0.02	0.12	0.17	0.07	0.04	0.07	0.05	0.04	0.12	0.16	0.05	0.03	0.04	0.02	0.01	1	2	4	8	16	24	46	0	12.5	17	1	8	1	1.13	1.4	1.33	1.75	1.67	2	NA	NA	NA	NA	NA	1	0	0.38	0.01	0.6	0	0.5	0.01	0.19	0.02	0.19	0.02	0.19	0.02
19233	libgromacs_mpi.so.7.0.0 - bonded.cpp:1912-2010 [...]	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...	InBetween	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.18	0.11	0.08	0.08	0.03	0.02	0.03	0.18	0.09	0.06	0.03	0.01	0.01	0	1	2	4	6	13	16	26	0	12.5	8.33	1	8	1	1.22	1.33	2	3	2	3	NA	NA	NA	NA	NA	1	0	1	0	0.75	0	0.75	0	1.13	0	0.56	0	1	0
17034	libgromacs_mpi.so.7.0.0 - lincs.cpp:1215-1223	gmx::constrain_lincs(bool, t_inputrec const&, long, gmx::Lincs, gmx::ArrayRef<float const>, t_commrec const, gmx_multisim_t const*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVecto...	Innermost	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.2	0.12	0.08	0.07	0.03	0.02	0.02	0.2	0.11	0.05	0.04	0.01	0.01	0	1	2	4	8	13	16	21	4.76	13.1	1	1	7.64	1	1.09	1.6	1.75	1.5	2	2	NA	NA	NA	NA	NA	1	0	0.91	0	1	0	0.63	0	1.25	0	0.63	0	1	0
3047	libgromacs_mpi.so.7.0.0 - pairlist.cpp:1991-1995	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t, gmx::ListOfLists<int> const&, int, t_nrnb, SearchCycleCounting*) [clone ._omp_fn.0]	Innermost	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.28	0.12	0.08	0.04	0.02	0.03	0.01	0.28	0.12	0.06	0.02	0.01	0.01	0	1	2	4	7	16	21	29	0	12.5	1	1	8	1	1	1.33	1.33	2	3	1	NA	NA	NA	NA	NA	1	0	1.17	0	1.17	0	1.75	0	1.75	0	0.88	0	1	0
5125	libgromacs_mpi.so.7.0.0 - threaded_force_buffer.cpp:178-211 [...]	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	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.13	0.07	0.07	0.04	0.04	0.04	0.03	0.13	0.06	0.05	0.02	0.02	0.01	0.01	1	2	4	7	15	21	38	0	12.5	1	1	8	1	1.17	1.75	1.33	2	2	3	NA	NA	NA	NA	NA	1	0	1.08	0	0.65	0	0.81	0	0.41	0.01	0.41	0.01	0.2	0.01
3043	libgromacs_mpi.so.7.0.0 - pairlist.cpp:211-3490 [...]	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t, gmx::ListOfLists<int> const&, int, t_nrnb, SearchCycleCounting*) [clone ._omp_fn.0]	InBetween	0.01	0.01	0.01	0.02	0.01	0.01	0.01	0.14	0.14	0.08	0.06	0.03	0.03	0.01	0.14	0.12	0.06	0.04	0.02	0.01	0	1	2	4	8	16	23	34	4	14	2.18	1	7.78	1	1.17	1.33	1.5	1.5	3	1	NA	NA	NA	NA	NA	1	0	0.58	0	0.58	0	0.44	0.01	0.44	0.01	0.44	0.01	1	0
4172	libgromacs_mpi.so.7.0.0 - stl_vector.h:919-1198 [...]	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	0.01	0	0	0	0	0	0	0.11							0.11							1							0	18.75	1	1	6	1	0	0	0	0	0	0	NA	NA	NA	NA	NA	1	0
19647	libgromacs_mpi.so.7.0.0 - pme_grid.cpp:469-471	wrap_periodic_pmegrid(gmx_pme_t const, float)	Innermost	0.01	0	0	0	0	0	0	0.11							0.1							1							100	50	1	1	2	1	0	0	0	0	0	0	NA	NA	NA	NA	NA	1	0
4133	libgromacs_mpi.so.7.0.0 - localtopology.cpp:108-716 [...]	int make_bondeds_zone<true>(gmx_reverse_top_t const&, gmx::ArrayRef<int const>, gmx_ga2la_t const&, gmx_domdec_zones_t const&, std::vector<gmx_molblock_t, std::allocator<gmx_molblock_t> > const&, bool, int const*, bo...	InBetween	0.01	0	0	0	0	0	0	0.16							0.16							1							0	16.67	1	1	8	1	0	0	0	0	0	0	NA	NA	NA	NA	NA	1	0
1923	libgromacs_mpi.so.7.0.0 - atomdata.cpp:168-258 [...]	copy_rvec_to_nbat_real(int const, int, int, float const () [3], int, float*, int)	Outermost	0.01	0.01	0.01	0.02	0.07	0.08	0.13	0.12	0.13	0.05	0.08	0.16	0.15	0.16	0.12	0.13	0.05	0.06	0.11	0.07	0.07	1	2	4	8	16	24	48	0	13.69	4.68	1	7.72	1	1	1	1.33	1.45	1.67	1.78	NA	NA	NA	NA	NA	1	0	0.46	0.01	0.6	0	0.25	0.01	0.07	0.07	0.05	0.08	0.03	0.13
19201	libgromacs_mpi.so.7.0.0 - bonded.cpp:444-1050 [...]	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...	Innermost	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.19	0.11	0.07	0.06	0.03	0.01	0.02	0.19	0.09	0.06	0.03	0.01	0	0	1	2	4	8	11	16	24	10	13.75	2.5	1	7.84	1	1.22	1.17	2	1.5	1	2	NA	NA	NA	NA	NA	1	0	1.06	0	0.79	0	0.79	0	1.19	0	1	0	1	0
3055	libgromacs_mpi.so.7.0.0 - pairlist.cpp:211-3472 [...]	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t, gmx::ListOfLists<int> const&, int, t_nrnb, SearchCycleCounting*) [clone ._omp_fn.0]	InBetween	0.01	0.01	0.01	0.01	0.03	0.02	0.02	0.21	0.11	0.06	0.04	0.08	0.06	0.03	0.21	0.1	0.05	0.03	0.04	0.02	0.01	1	2	4	8	16	24	44	0	13.24	2.57	1	8	1	1.1	1.2	1.33	2	2	1.5	NA	NA	NA	NA	NA	1	0	1.05	0	1.05	0	0.88	0	0.33	0.02	0.33	0.01	0.33	0.01
3044	libgromacs_mpi.so.7.0.0 - pairlist.cpp:211-3490 [...]	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t, gmx::ListOfLists<int> const&, int, t_nrnb, SearchCycleCounting*) [clone ._omp_fn.0]	InBetween	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.1	0.1	0.04	0.02	0.02	0.04	0.02	0.1	0.08	0.04	0.02	0.02	0.01	0	1	2	4	8	16	21	32	0	12.95	2.09	1	8	1	1.25	1	1	1	4	2	NA	NA	NA	NA	NA	1	0	0.63	0	0.63	0	0.63	0	0.31	0.01	0.31	0.01	1	0
3049	libgromacs_mpi.so.7.0.0 - pairlist.cpp:1305-1420 [...]	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t, gmx::ListOfLists<int> const&, int, t_nrnb, SearchCycleCounting*) [clone ._omp_fn.0]	InBetween	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.22	0.13	0.06	0.04	0.03	0.03	0.03	0.22	0.12	0.05	0.04	0.01	0.01	0.01	1	2	4	8	16	23	39	0	12.5	1	1	8	1	1.08	1.2	1	3	3	3	NA	NA	NA	NA	NA	1	0	0.92	0	1.1	0	0.69	0	1.38	0	0.69	0	0.34	0.01
17142	libgromacs_mpi.so.7.0.0 - mdatoms.cpp:327-497 [...]	atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*) [clone ._omp_fn.0]	Outermost	0.01	0.01	0.01	0.02	0.02	0.02	0.03	0.13	0.11	0.07	0.07	0.04	0.05	0.04	0.13	0.11	0.06	0.05	0.02	0.02	0.02	1	2	4	8	16	24	47	9.76	15.55	4.72	1	7.55	1	1	1.17	1.4	2	1.67	2	NA	NA	NA	NA	NA	1	0	0.59	0	0.54	0	0.33	0.01	0.41	0.01	0.2	0.02	0.1	0.03
17438	libgromacs_mpi.so.7.0.0 - sim_util.cpp:466-466 [...]	setupForceOutputs(ForceHelperBuffers, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::DomainLifetimeWorkload const&, gmx::StepWorkload const&, bool, gmx_wallcycle) [clone .constprop.0]	Single	0.01	0.03	0.04	0.05	0.04	0.05	0.03	0.23	0.29	0.22	0.2	0.15	0.1	0.06	0.23	0.28	0.19	0.13	0.07	0.04	0.02	1	2	4	8	16	24	44	100	100	1.5	1	1	1	1.04	1.16	1.54	2.14	2	3	NA	NA	NA	NA	NA	1	0	0.41	0.02	0.3	0.03	0.22	0.04	0.21	0.03	0.18	0.04	0.18	0.02
2081	libgromacs_mpi.so.7.0.0 - grid.cpp:415-420	Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>) [clone .constprop.2] [clone .isra.0]	Single	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.19	0.09	0.09	0.05	0.04	0.04	0.03	0.19	0.08	0.06	0.03	0.02	0.01	0.01	1	2	4	8	14	24	41	NA	NA	1	NA	NA	1	1.13	1.5	1.67	2	2	3	NA	NA	NA	NA	NA	1	0	1.19	0	0.79	0	0.79	0	0.59	0	0.59	0	0.3	0.01
4165	libgromacs_mpi.so.7.0.0 - localtopology.cpp:737-777 [...]	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	0.01	0	0	0	0	0	0	0.12							0.12							1							27.45	31.74	9.21	1	5.62	1	0	0	0	0	0	0	NA	NA	NA	NA	NA	1	0
4015	libgromacs_mpi.so.7.0.0 - domdec_specatomcomm.cpp:225-228 [...]	dd_move_x_specat(gmx_domdec_t const, gmx_domdec_specat_comm_t, float const () [3], float () [3], float (*) [3], bool)	Innermost	0	0	0.03	0.06	0.05	0.05	0.07			0.2	0.28	0.12	0.13	0.1			0.15	0.16	0.07	0.05	0.04			4	8	16	24	48	0	12.5	1.29	1	8	0	0	1.33	1.75	1.71	2.17	2	NA	NA	NA	NA	NA					1	0	1	0	1	0	1	0	1	0
19759	libgromacs_mpi.so.7.0.0 - pme_redistribute.cpp:431-444 [...]	dd_pmeredist_f(gmx_pme_t, PmeAtomComm, gmx::ArrayRef<gmx::BasicVector<float> >, bool)	Innermost	0	0.05	0.05	0.07	0.07	0	0		0.52	0.33	0.25	0.17				0.47	0.26	0.18	0.11				2	4	8	16			11.11	18.75	1.57	1.4	6.13	0	1.11	1.27	1.39	1.55	0	0	NA	NA	NA	NA	NA			1	0	1	0	1	0	1	0
19753	libgromacs_mpi.so.7.0.0 - pme_pp.cpp:573-573 [...]	gmx_pme_receive_f(gmx::PmePpCommGpu, t_commrec const, gmx::ForceWithVirial, float, float, float, float, bool, bool, float)	Single	0	0	0	0	0	0.04	0.05						0.08	0.06						0.04	0.02						24	48	14.29	19.64	1	1	5.49	0	0	0	0	0	1.6	2	NA	NA	NA	NA	NA											1	0	1	0
19755	libgromacs_mpi.so.7.0.0 - pme_redistribute.cpp:96-103	pme_calc_pidx_wrapper(gmx::ArrayRef<gmx::BasicVector<float> const>, float const () [3], PmeAtomComm) [clone ._omp_fn.0]	Innermost	0	0.14	0.15	0.14	0.14	0.11	0.1		1.5	0.86	0.44	0.26	0.44	0.31		1.49	0.78	0.38	0.21	0.1	0.05		2	4	8	16	8	16	20	15	3.09	1	7.54	0	1.01	1.1	1.16	1.24	1.13	1.63	NA	NA	NA	NA	NA			1	0	1	0	1	0	1	0	1	0	1	0
19623	libgromacs_mpi.so.7.0.0 - pme_grid.cpp:254-256 [...]	gmx_sum_qgrid_dd(gmx_pme_t, float, int)	Single	0	0.01	0.01	0.03	0.05	0.02	0.04		0.08	0.08	0.11	0.11	0.08	0.1		0.07	0.06	0.08	0.07	0.01	0.02		2	4	8	16	8	16	100	50	1	1	2	0	1.14	1.33	1.38	1.57	1.33	1.25	NA	NA	NA	NA	NA			1	0	1	0	1	0	1	0	1	0	1	0
19940	libgromacs_mpi.so.7.0.0 - fft5d.cpp:814-820	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	InBetween	0	0.02	0.09	0.07	0.21	0.06	0.16		0.22	0.51	0.27	0.37	0.27	0.38		0.22	0.48	0.2	0.31	0.05	0.08		2	4	8	16	8	16	0	12.5	1	1	8	0	1.05	1.06	1.35	1.19	1.35	1.23	NA	NA	NA	NA	NA			1	0	1	0	1	0	1	0	1	0	1	0
4154	libgromacs_mpi.so.7.0.0 - localtopology.cpp:737-777 [...]	void make_exclusions_zone<false>(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	0.01	0.01	0.01	0.01	0.01	0.01		0.07	0.05	0.04	0.03	0.03	0.03		0.06	0.04	0.02	0.01	0.01	0.01		2	4	8	14	22	35	26.67	31.31	9.27	1	5.63	0	1.17	1.25	2	3	3	3	NA	NA	NA	NA	NA			1	0	1	0	1	0	1	0	1	0	1	0
19941	libgromacs_mpi.so.7.0.0 - fft5d.cpp:818-820	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	Innermost	0	0.24	0.14	0.14	0	0.1	0		2.57	0.8	0.45		0.39			2.48	0.76	0.38		0.09			2	4	8		8		NA	NA	1	NA	NA	0	1.04	1.05	1.18	0	1.11	0	NA	NA	NA	NA	NA			1	0	1	0	1	0			1	0
19762	libgromacs_mpi.so.7.0.0 - pme_redistribute.cpp:450-463 [...]	dd_pmeredist_f(gmx_pme_t, PmeAtomComm, gmx::ArrayRef<gmx::BasicVector<float> >, bool)	Single	0	0	0	0	0	0.08	0.1						0.35	0.25						0.07	0.05						8	16	0	13.27	1.49	1	7.85	0	0	0	0	0	1.3	1.25	NA	NA	NA	NA	NA											1	0	1	0
4161	libgromacs_mpi.so.7.0.0 - stl_vector.h:919-1198 [...]	void make_exclusions_zone<false>(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	0.01	0.01	0.01	0.01	0.02	0.01		0.07	0.08	0.04	0.03	0.04	0.02		0.08	0.05	0.03	0.02	0.02	0.01		2	4	8	16	24	41	0	17.19	1	1	6.15	0	1	1.6	1.33	3	2	2	NA	NA	NA	NA	NA			1	0	1	0	1	0	1	0	1	0	1	0
4128	libgromacs_mpi.so.7.0.0 - localtopology.cpp:505-536 [...]	int assignInteractionsForAtom<false>(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>, In...	Innermost	0	0.02	0.02	0.03	0.03	0.02	0.03		0.23	0.15	0.12	0.09	0.06	0.04		0.2	0.11	0.07	0.04	0.02	0.01		2	4	8	13	24	36	0	12.5	1	1	8	0	1.15	1.36	1.71	1.8	2	2	NA	NA	NA	NA	NA			1	0	1	0	1	0	1	0	1	0	1	0
3841	libgromacs_mpi.so.7.0.0 - domdec.cpp:309-314 [...]	dd_move_x(gmx_domdec_t, float const () [3], gmx::ArrayRef<gmx::BasicVector<float> >, gmx_wallcycle*)	Innermost	0	0.01	0.01	0.01	0.02	0.02	0.02		0.19	0.21	0.15	0.09	0.12	0.06		0.1	0.05	0.02	0.03	0.01	0.01		1	1	1	7	10	13	0	12.5	1.29	1	8	0	1	1	1	1.5	2.4	1.5	NA	NA	NA	NA	NA			1	0	1	0	1	0	1	0	1	0	1	0
4127	libgromacs_mpi.so.7.0.0 - localtopology.cpp:322-576 [...]	int assignInteractionsForAtom<false>(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>, In...	Innermost	0	0.02	0.02	0.03	0.03	0.03	0.02		0.3	0.2	0.15	0.1	0.1	0.06		0.25	0.13	0.09	0.04	0.03	0.01		2	4	8	15	23	40	0	16.22	2.75	1	7.44	0	1.2	1.54	1.67	2	2.5	3	NA	NA	NA	NA	NA			1	0	1	0	1	0	1	0	1	0	1	0
3851	libgromacs_mpi.so.7.0.0 - domdec.cpp:428-432 [...]	dd_move_f(gmx_domdec_t, gmx::ForceWithShiftForces, gmx_wallcycle*)	Single	0	0.02	0.04	0.09	0.14	0.13	0.13		0.29	0.27	0.31	0.24	0.22	0.14		0.24	0.24	0.25	0.2	0.11	0.07		2	4	8	16	24	48	12.5	14.06	1.12	1	7.2	0	1.26	1.17	1.24	1.2	1.47	1.56	NA	NA	NA	NA	NA			1	0	1	0	1	0	1	0	1	0	1	0
4012	libgromacs_mpi.so.7.0.0 - domdec_specatomcomm.cpp:314-317 [...]	dd_move_x_specat(gmx_domdec_t const, gmx_domdec_specat_comm_t, float const () [3], float () [3], float (*) [3], bool)	Innermost	0	0.02	0	0	0	0	0		0.18							0.17							2						0	12.5	1.29	1	8	0	1.06	0	0	0	0	0	NA	NA	NA	NA	NA			1	0
4151	libgromacs_mpi.so.7.0.0 - hashedmap.h:277-282 [...]	void make_exclusions_zone<false>(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...	Innermost	0	0	0	0	0	0.02	0.01						0.05	0.03						0.02	0.01						24	37	NA	NA	1	NA	NA	0	0	0	0	0	2.5	3	NA	NA	NA	NA	NA											1	0	1	0
19776	libgromacs_mpi.so.7.0.0 - pme_redistribute.cpp:340-362 [...]	do_redist_pos_coeffs(gmx_pme_t, t_commrec const, bool, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>)	InBetween	0	0.05	0.05	0.05	0.02	0.05	0.02		0.58	0.3	0.17	0.05	0.21	0.07		0.54	0.27	0.13	0.02	0.04	0.01		2	4	8	15	8	16	0	13.89	1.25	1	8	0	1.07	1.11	1.31	2.5	1.31	1.75	NA	NA	NA	NA	NA			1	0	1	0	1	0	1	0	1	0	1	0
4278	libgromacs_mpi.so.7.0.0 - hashedmap.h:232-255 [...]	clearDDStateIndices(gmx_domdec_t*, bool)	Innermost	0	0	0	0	0	0.01	0.01						0.02	0.02						0.01	0.01						21	36	0	12.5	1	1	8	0	0	0	0	0	2	2	NA	NA	NA	NA	NA											1	0	1	0
4131	libgromacs_mpi.so.7.0.0 - hashedmap.h:277-282 [...]	int assignInteractionsForAtom<false>(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>, In...	Single	0	0	0	0	0	0.01	0.01						0.03	0.02						0	0.01						15	29	NA	NA	1	NA	NA	0	0	0	0	0	3	2	NA	NA	NA	NA	NA											1	0	1	0
3840	libgromacs_mpi.so.7.0.0 - domdec.cpp:301-303 [...]	dd_move_x(gmx_domdec_t, float const () [3], gmx::ArrayRef<gmx::BasicVector<float> >, gmx_wallcycle*)	Innermost	0	0.01	0.02	0.04	0.05	0.05	0.07		0.15	0.14	0.16	0.11	0.11	0.09		0.08	0.1	0.12	0.07	0.05	0.04		1	3	7	15	23	47	NA	NA	1	NA	NA	0	1	1.08	1.14	1.57	1.83	1.8	NA	NA	NA	NA	NA			1	0	1	0	1	0	1	0	1	0	1	0
19777	libgromacs_mpi.so.7.0.0 - pme_redistribute.cpp:340-362 [...]	do_redist_pos_coeffs(gmx_pme_t, t_commrec const, bool, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>)	Innermost	0	0.08	0.09	0.11	0.18	0.08	0.11		0.9	0.63	0.43	0.33	0.45	0.29		0.79	0.49	0.3	0.26	0.07	0.06		2	4	8	16	8	16	0	12.81	1.8	1	8	0	1.14	1.29	1.43	1.27	1.55	1.26	NA	NA	NA	NA	NA			1	0	1	0	1	0	1	0	1	0	1	0
19761	libgromacs_mpi.so.7.0.0 - arrayref.h:82-82 [...]	dd_pmeredist_f(gmx_pme_t, PmeAtomComm, gmx::ArrayRef<gmx::BasicVector<float> >, bool)	Innermost	0	0.04	0.04	0.04	0.01	0	0		0.41	0.29	0.13	0.03				0.38	0.22	0.11	0.02				2	4	8	15			12.5	18.75	1.14	1.19	5.57	0	1.08	1.32	1.18	1.5	0	0	NA	NA	NA	NA	NA			1	0	1	0	1	0	1	0

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