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 (%)
1339	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*)	Innermost	43.61	42.8	42.24	41.08	39.32	33.62	31.39	813.87	441.88	266.82	139.8	79.65	54.67	28.59	813.87	411.26	209.17	107.24	55.02	28.08	14.86	1	2	4	8	16	24	48	93.86	98.87	1	1	1	1	1.07	1.28	1.31	1.45	1.47	1.46	NA	NA	NA	NA	NA	1	0	0.99	0.45	0.97	1.15	0.95	2.11	0.92	2.97	0.91	3.17	0.86	4.53
1337	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	16.68	16.46	16.32	16.04	14.36	12.56	11.07	311.3	184.65	112.08	63.43	36.41	27.48	19.11	311.3	158.12	80.82	41.87	20.1	10.49	5.24	1	2	4	8	16	24	48	93.3	97.52	1	1	1	1	1.17	1.39	1.52	1.82	1.98	2.77	NA	NA	NA	NA	NA	1	0	0.98	0.26	0.96	0.6	0.93	1.13	0.97	0.46	0.93	0.91	0.93	0.79
1348	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	6.45	6.32	6.23	6.08	5.84	4.99	4.63	120.34	65.34	39.23	20.82	11.69	8.05	4.33	120.34	60.7	30.83	15.87	8.17	4.17	2.19	1	2	4	8	16	24	48	91.48	97.28	1	1	1	1	1.08	1.27	1.31	1.44	1.46	1.5	NA	NA	NA	NA	NA	1	0	0.99	0.06	0.98	0.15	0.95	0.32	0.92	0.46	0.9	0.49	0.86	0.65
1345	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	2.51	2.47	2.46	2.39	2.12	1.88	1.72	46.84	28.05	17.12	9.17	5.47	4	2.82	46.84	23.71	12.2	6.24	2.97	1.57	0.81	1	2	4	8	16	24	48	92.29	97.54	1	1	1	1	1.18	1.4	1.47	1.85	1.92	2.64	NA	NA	NA	NA	NA	1	0	0.99	0.03	0.96	0.1	0.94	0.15	0.99	0.03	0.93	0.13	0.9	0.17
1336	libgromacs_mpi.so.7.0.0 - kernel_outer.h:353-657 [...]	nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	InBetween	2.1	2.25	2.59	3.22	2.92	3.07	3.32	39.19	21.72	13.05	8.71	4.42	3.88	2.32	39.19	21.58	12.83	8.39	4.08	2.56	1.57	1	2	4	8	16	24	48	68.1	69.02	1.34	1	1.03	1	1.01	1.02	1.04	1.09	1.14	1.13	NA	NA	NA	NA	NA	1	0	0.91	0.21	0.76	0.61	0.58	1.34	0.6	1.17	0.48	1.6	0.39	2.03
20833	libgromacs_mpi.so.7.0.0 - fft5d.cpp:884-886	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	Innermost	2.09	1.2	0.83	0.75	0.7	0.59	0.52	39.01	11.75	4.29	2.11	1.06	2.16	1.04	39.01	11.53	4.1	1.96	0.98	0.49	0.25	1	2	4	8	16	8	16	NA	NA	1	NA	NA	1	1.02	1.05	1.08	1.08	1.11	1.07	NA	NA	NA	NA	NA	1	0	1.69	0	2.38	0	2.49	0	2.49	0	2.49	0	2.44	0
20480	libgromacs_mpi.so.7.0.0 - pme_gather.cpp:247-251 [...]	gather_f_bsplines(gmx_pme_t const, float const, bool, PmeAtomComm const, splinedata_t const, float)	Innermost	1.73	1.63	1.52	1.48	1.36	1.13	1.03	32.33	16.03	8.16	4.2	2.16	4.14	2.29	32.33	15.67	7.53	3.87	1.91	0.94	0.49	1	2	4	8	16	8	16	95.24	49.4	1	1.63	1.58	1	1.02	1.08	1.09	1.14	1.11	1.19	NA	NA	NA	NA	NA	1	0	1.03	0	1.07	0	1.04	0	1.06	0	1.07	0	1.03	0
20746	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]	InBetween	1.63	1.9	1.58	1.52	1.36	1.18	1.06	30.49	21.56	8.41	4.31	2.25	4.2	2.89	30.49	18.22	7.82	3.96	1.9	0.99	0.5	1	2	4	8	16	8	16	47.37	58.72	3.96	1	1.06	1	1.18	1.08	1.09	1.19	1.07	1.46	NA	NA	NA	NA	NA	1	0	0.84	0.31	0.97	0.04	0.96	0.06	1	0	0.96	0.04	0.95	0.05
1340	libgromacs_mpi.so.7.0.0 - impl_arm_sve_simd_float.h:83-555 [...]	nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	1.6	1.61	1.57	1.52	1.46	1.24	1.13	29.89	16.64	9.84	5.21	2.74	1.97	1.08	29.89	15.45	7.78	3.96	2.05	1.04	0.53	1	2	4	8	16	24	48	86.81	94.71	1	1	1	1	1.08	1.27	1.32	1.34	1.43	1.54	NA	NA	NA	NA	NA	1	0	0.97	0.05	0.96	0.06	0.94	0.09	0.91	0.13	0.9	0.13	0.88	0.13
1338	libgromacs_mpi.so.7.0.0 - impl_arm_sve_simd_float.h:83-555 [...]	nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	1.46	1.45	1.44	1.37	1.23	1.07	0.97	27.26	15.99	9.8	5.28	3.06	2.35	1.79	27.26	13.95	7.12	3.58	1.72	0.89	0.46	1	2	4	8	16	24	47	87.48	95.05	1	1	1	1	1.15	1.38	1.47	1.78	1.99	2.93	NA	NA	NA	NA	NA	1	0	0.98	0.03	0.96	0.06	0.95	0.07	0.99	0.01	0.96	0.05	0.93	0.07
1342	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*)	Single	1.36	1.28	1.28	1.24	1.28	0.99	0.98	25.32	12.93	8.23	4.59	8.49	4.55	3.23	25.32	12.34	6.35	3.25	1.78	0.83	0.46	1	2	4	8	8	14	19	93.69	97.39	1	1	1	1	1.05	1.3	1.42	2.38	2.42	2.1	NA	NA	NA	NA	NA	1	0	1.03	0	1	0	0.97	0.03	0.89	0.14	0.95	0.05	0.86	0.14
1931	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	1.33	1.31	1.3	1.27	1.19	1.04	0.92	24.89	12.72	6.78	3.48	1.81	1.28	0.69	24.89	12.58	6.42	3.31	1.66	0.87	0.44	1	2	4	8	16	24	48	91.53	91.92	1	1	1	1	1.01	1.06	1.05	1.09	1.11	1.21	NA	NA	NA	NA	NA	1	0	0.99	0.01	0.97	0.04	0.94	0.08	0.94	0.07	0.89	0.11	0.88	0.11
20740	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	1.3	1.23	1.15	1.07	1.03	0.82	0.77	24.18	11.91	6.04	2.98	1.59	2.95	1.65	24.18	11.78	5.68	2.79	1.44	0.68	0.36	1	2	4	8	16	8	16	84.52	43.3	2.66	1.89	5.35	1	1.01	1.06	1.07	1.1	1.09	1.15	NA	NA	NA	NA	NA	1	0	1.03	0	1.06	0	1.08	0	1.05	0	1.11	0	1.05	0
19995	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	0.74	0.69	0.69	0.65	0.61	0.53	0.47	13.74	7.47	4.52	2.29	1.52	1.1	0.78	13.74	6.63	3.4	1.69	0.85	0.45	0.22	1	2	4	8	16	24	44	72.57	84.2	1	1	1	1	1.13	1.33	1.36	1.79	1.86	2.44	NA	NA	NA	NA	NA	1	0	1.04	0	1.01	0	1.02	0	1.01	0	0.95	0.02	0.98	0.01
20483	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	0.62	0.61	0.61	0.57	0.53	0.42	0.4	11.55	5.97	3.27	1.67	0.97	1.57	0.84	11.55	5.91	3.01	1.5	0.75	0.35	0.19	1	2	4	8	16	8	16	15.63	17.58	2.59	1.65	6.33	1	1.01	1.09	1.11	1.31	1.12	1.12	NA	NA	NA	NA	NA	1	0	0.98	0.01	0.96	0.02	0.96	0.02	0.96	0.02	1.03	0	0.95	0.02
20054	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*,...	Outermost	0.59	0.56	0.53	0.47	0.46	0.39	0.33	10.93	6.46	3.88	2.08	1.29	0.89	0.64	10.93	5.4	2.6	1.24	0.64	0.33	0.16	1	2	4	8	16	22	44	87.77	92.62	1	1	1	1	1.2	1.49	1.68	2.02	1.89	2.78	NA	NA	NA	NA	NA	1	0	1.01	0	1.05	0	1.1	0	1.07	0	1.04	0	1.07	0
18239	libgromacs_mpi.so.7.0.0 - settle.cpp:423-431 [...]	void gmx::settleTemplate<gmx::SimdFloat, gmx::SimdFBool, 8, float const, true, false>(gmx::SettleData const&, int, int, float const, float const, float, float, float, float () [3], bool*) [clone .constprop.0]	Single	0.59	0.53	0.49	0.44	0.42	0.36	0.33	11.02	5.39	3.11	1.59	0.88	0.61	0.35	11.02	5.09	2.44	1.16	0.59	0.3	0.16	1	2	4	8	16	24	48	88.98	99.98	1	1	1	1	1.06	1.28	1.37	1.49	1.52	1.67	NA	NA	NA	NA	NA	1	0	1.08	0	1.13	0	1.19	0	1.17	0	1.15	0	1.08	0
20281	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	0.57	0.57	0.53	0.53	0.49	0.41	0.38	10.68	6.54	3.68	2.13	1.26	0.92	0.66	10.68	5.48	2.62	1.38	0.69	0.34	0.18	1	2	4	8	16	24	44	54.69	65.71	1.18	1	1.12	1	1.19	1.4	1.55	1.83	2.04	2.54	NA	NA	NA	NA	NA	1	0	0.97	0.01	1.02	0	0.97	0.02	0.97	0.02	0.98	0.01	0.93	0.03
17887	libgromacs_mpi.so.7.0.0 - lincs.cpp:282-284	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]	Innermost	0.43	0.47	0.52	0.57	0.5	0.5	0.48	8.09	4.91	3.11	1.95	1.28	1.05	0.82	8.09	4.48	2.58	1.49	0.7	0.42	0.23	1	2	4	8	16	24	45	100	100	1	1	1	1	1.1	1.21	1.32	1.86	1.88	2.56	NA	NA	NA	NA	NA	1	0	0.9	0.05	0.78	0.11	0.68	0.18	0.72	0.14	0.6	0.2	0.55	0.22
20829	libgromacs_mpi.so.7.0.0 - fft5d.cpp:947-949	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	Innermost	0.38	0.36	0.36	0.31	0.28	0.26	0.21	7.16	3.43	1.87	0.93	0.51	1	0.43	7.16	3.43	1.76	0.81	0.4	0.22	0.1	1	2	4	8	16	8	16	NA	NA	1	NA	NA	1	1	1.06	1.16	1.27	1.18	1.1	NA	NA	NA	NA	NA	1	0	1.04	0	1.02	0	1.1	0	1.12	0	1.02	0	1.12	0
20479	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	0.3	0.31	0.32	0.29	0.28	0.25	0.21	5.58	2.95	1.8	0.94	0.47	1.01	0.47	5.58	2.94	1.6	0.77	0.4	0.21	0.1	1	2	4	8	16	8	16	0	15	8	1	7.11	1	1	1.13	1.24	1.21	1.2	1.17	NA	NA	NA	NA	NA	1	0	0.95	0.02	0.87	0.04	0.91	0.03	0.87	0.04	0.83	0.04	0.87	0.03
20777	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	0.29	0.29	0.28	0.27	0.28	0.21	0.19	5.36	2.83	1.49	0.76	0.45	0.75	0.42	5.36	2.76	1.37	0.7	0.39	0.17	0.09	1	2	4	8	16	8	16	0	12.5	2.16	1	8	1	1.03	1.09	1.09	1.18	1.09	1.2	NA	NA	NA	NA	NA	1	0	0.97	0.01	0.98	0.01	0.96	0.01	0.86	0.04	0.99	0	0.93	0.01
3851	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	0.28	0.27	0.27	0.27	0.23	0.2	0.18	5.24	2.65	1.44	0.79	0.38	0.29	0.16	5.24	2.62	1.36	0.69	0.32	0.17	0.09	1	2	4	8	16	24	48	82.09	83.58	1	1	1	1	1.01	1.07	1.14	1.19	1.32	1.45	NA	NA	NA	NA	NA	1	0	1	0	0.96	0.01	0.95	0.01	1.02	0	0.96	0.01	0.91	0.02
17881	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	0.27	0.28	0.3	0.31	0.26	0.24	0.24	5.1	2.75	1.75	1.04	0.66	0.5	0.43	5.1	2.72	1.47	0.8	0.37	0.2	0.11	1	2	4	8	16	23	44	23.53	19.12	1.15	1.11	6	1	1.01	1.19	1.3	1.78	1.79	2.69	NA	NA	NA	NA	NA	1	0	0.94	0.02	0.87	0.04	0.8	0.06	0.86	0.04	0.8	0.05	0.72	0.07
20481	libgromacs_mpi.so.7.0.0 - arm_neon.h:786-21797 [...]	gather_f_bsplines(gmx_pme_t const, float const, bool, PmeAtomComm const, splinedata_t const, float)	InBetween	0.25	0.27	0.26	0.25	0.22	0.19	0.17	4.74	2.63	1.31	0.78	0.39	0.69	0.38	4.74	2.58	1.29	0.66	0.3	0.16	0.08	1	2	4	8	16	8	16	46.15	31.73	2.79	1.68	6.4	1	1.02	1.02	1.18	1.3	1.1	1.19	NA	NA	NA	NA	NA	1	0	0.92	0.02	0.92	0.02	0.9	0.03	0.99	0	0.93	0.01	0.93	0.01
1349	libgromacs_mpi.so.7.0.0 - impl_arm_sve_simd_float.h:83-555 [...]	nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Single	0.25	0.25	0.23	0.25	0.23	0.2	0.17	4.75	2.68	1.46	0.77	0.45	0.36	0.18	4.75	2.43	1.13	0.65	0.32	0.16	0.08	1	2	4	8	16	24	48	84.78	94.42	1	1	1	1	1.1	1.29	1.18	1.41	1.64	1.64	NA	NA	NA	NA	NA	1	0	0.98	0.01	1.05	0	0.91	0.02	0.93	0.02	0.93	0.01	0.93	0.01
20520	libgromacs_mpi.so.7.0.0 - pme_grid.cpp:303-309 [...]	copy_pmegrid_to_fftgrid(gmx_pme_t const, float const, float*, int)	Innermost	0.24	0.26	0.26	0.23	0.25	0.18	0.14	4.4	2.49	1.35	0.67	0.43	0.61	0.34	4.39	2.46	1.28	0.61	0.34	0.15	0.07	1	2	4	8	16	8	16	100	100	1	1	1	1	1.01	1.05	1.1	1.26	1.05	1.31	NA	NA	NA	NA	NA	1	0	0.89	0.03	0.86	0.04	0.9	0.02	0.81	0.05	0.91	0.02	0.98	0
17915	libgromacs_mpi.so.7.0.0 - lincs.cpp:798-809 [...]	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	0.24	0.24	0.23	0.22	0.21	0.18	0.18	4.42	2.49	1.48	0.76	0.54	0.45	0.34	4.42	2.28	1.11	0.58	0.29	0.15	0.09	1	2	4	8	16	23	46	84.75	100	1	1	1	1	1.09	1.33	1.31	1.86	2.14	2.83	NA	NA	NA	NA	NA	1	0	0.97	0.01	1	0	0.95	0.01	0.95	0.01	0.92	0.01	0.77	0.04
20679	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	0.23	0.21	0.21	0.2	0.19	0.17	0.14	4.35	2.06	1.13	0.59	0.35	0.63	0.31	4.35	2.05	1.04	0.52	0.27	0.14	0.07	1	2	4	8	16	8	16	76.67	100	1	1	1	1	1	1.09	1.13	1.3	1.13	1.19	NA	NA	NA	NA	NA	1	0	1.06	0	1.05	0	1.05	0	1.01	0	0.97	0	0.97	0
1346	libgromacs_mpi.so.7.0.0 - impl_arm_sve_simd_float.h:83-555 [...]	nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	0.22	0.22	0.22	0.22	0.2	0.17	0.15	4.2	2.37	1.45	0.81	0.66	0.41	0.33	4.2	2.12	1.1	0.57	0.29	0.14	0.07	1	2	4	8	16	24	42	86.21	95	1	1	1	1	1.12	1.32	1.42	2.28	2.16	3	NA	NA	NA	NA	NA	1	0	0.99	0	0.95	0.01	0.92	0.02	0.91	0.02	0.94	0.01	0.94	0.01
1344	libgromacs_mpi.so.7.0.0 - kernel_outer.h:353-657 [...]	nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	InBetween	0.19	0.22	0.27	0.31	0.28	0.29	0.31	3.56	2.16	1.36	0.87	0.47	0.4	0.25	3.56	2.11	1.31	0.81	0.39	0.24	0.15	1	2	4	8	16	24	48	68.75	70.19	1.41	1	1.02	1	1.02	1.04	1.07	1.21	1.25	1.32	NA	NA	NA	NA	NA	1	0	0.84	0.03	0.68	0.09	0.55	0.14	0.57	0.12	0.46	0.16	0.37	0.2
1351	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	0.19	0.19	0.18	0.18	0.18	0.14	0.15	3.54	1.92	1.17	0.67	1.24	0.63	0.46	3.54	1.83	0.9	0.46	0.25	0.12	0.07	1	2	4	8	8	10	20	97.83	100	1	1	1	1	1.05	1.3	1.46	2.48	1.66	2.09	NA	NA	NA	NA	NA	1	0	0.97	0.01	0.98	0	0.96	0.01	0.89	0.02	0.92	0.01	0.79	0.03
17912	libgromacs_mpi.so.7.0.0 - lincs.cpp:1085-1089 [...]	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...	Outermost	0.18	0.2	0.22	0.23	0.22	0.19	0.17	3.3	2.12	1.33	0.79	0.62	0.43	0.33	3.3	1.88	1.07	0.61	0.31	0.16	0.08	1	2	4	8	16	24	44	26.67	15.83	1.25	1	6.32	1	1.13	1.24	1.3	2	2.05	3	NA	NA	NA	NA	NA	1	0	0.88	0.02	0.77	0.05	0.68	0.07	0.67	0.07	0.64	0.07	0.64	0.06
3844	libgromacs_mpi.so.7.0.0 - pairlist.cpp:607-3490 [...]	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	0.17	0.19	0.22	0.23	0.35	0.35	0.29	3.08	1.81	1.12	0.68	0.57	0.47	0.26	3.08	1.81	1.1	0.61	0.49	0.29	0.14	1	2	4	8	16	24	48	0	13.79	4.39	1	7.45	1	1	1.02	1.11	1.16	1.21	1.44	NA	NA	NA	NA	NA	1	0	0.85	0.03	0.7	0.07	0.63	0.08	0.39	0.21	0.33	0.23	0.34	0.19
17893	libgromacs_mpi.so.7.0.0 - lincs.cpp:282-284	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]	Innermost	0.15	0.16	0.17	0.19	0.18	0.17	0.17	2.8	1.6	1.08	0.78	0.47	0.39	0.4	2.81	1.52	0.84	0.5	0.25	0.14	0.08	1	2	4	8	16	22	44	100	100	1	1	1	1	1.06	1.3	1.56	1.88	1.95	3.64	NA	NA	NA	NA	NA	1	0	0.92	0.01	0.84	0.03	0.7	0.06	0.7	0.05	0.63	0.06	0.55	0.08
3857	libgromacs_mpi.so.7.0.0 - pairlist.cpp:3408-3409	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	0.15	0.15	0.14	0.13	0.02	0.03	0.01	2.88	1.45	0.71	0.41	0.13	0.11	0.04	2.88	1.45	0.67	0.34	0.03	0.03	0	1	2	4	8	8	22	13	0	15.91	6	1	8	1	1.01	1.06	1.21	1.86	2.75	2	NA	NA	NA	NA	NA	1	0	0.99	0	1.07	0	1.06	0	6	0	3	0	1	0
1341	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*)	Single	0.13	0.14	0.13	0.12	0.12	0.1	0.09	2.45	1.44	0.98	0.51	0.87	0.48	0.34	2.45	1.36	0.63	0.33	0.16	0.08	0.04	1	2	4	8	8	9	18	92	96.83	1	1	1	1	1.06	1.56	1.59	2.64	1.66	2.27	NA	NA	NA	NA	NA	1	0	0.9	0.01	0.97	0	0.93	0.01	0.96	0.01	0.96	0	0.96	0
2735	libgromacs_mpi.so.7.0.0 - atomdata.cpp:226-236	copy_rvec_to_nbat_real(int const, int, int, float const () [3], int, float*, int)	Innermost	0.11	0.13	0.16	0.21	0.25	0.22	0.19	2.04	1.38	0.81	0.6	0.42	0.34	0.19	2.04	1.26	0.78	0.55	0.35	0.18	0.09	1	2	4	8	16	24	48	0	12.5	1.74	1	8	1	1.1	1.04	1.09	1.2	1.42	1.58	NA	NA	NA	NA	NA	1	0	0.81	0.02	0.65	0.06	0.46	0.11	0.36	0.16	0.35	0.14	0.35	0.12
17883	libgromacs_mpi.so.7.0.0 - lincs.cpp:270-287 [...]	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	0.11	0.11	0.12	0.14	0.12	0.11	0.11	2.04	1.13	0.78	0.5	0.31	0.28	0.22	2.05	1.02	0.6	0.37	0.17	0.09	0.05	1	2	4	8	16	22	41	0	16.67	4.5	1	6.55	1	1.11	1.3	1.35	1.82	2	2.75	NA	NA	NA	NA	NA	1	0	1	0	0.85	0.02	0.69	0.04	0.75	0.03	0.71	0.03	0.64	0.04
2718	libgromacs_mpi.so.7.0.0 - atomdata.cpp:1173-1179 [...]	reduceForces(nbnxn_atomdata_t, gmx::AtomLocality, Nbnxm::GridSet const&, float () [3]) [clone ._omp_fn.0]	Innermost	0.11	0.13	0.14	0.19	0.18	0.19	0.2	2.01	1.24	0.77	0.56	0.37	0.28	0.19	2.01	1.21	0.69	0.48	0.25	0.16	0.1	1	2	4	8	16	24	48	14.29	14.29	1.77	1	8	1	1.02	1.12	1.17	1.48	1.33	1.46	NA	NA	NA	NA	NA	1	0	0.83	0.02	0.73	0.04	0.52	0.09	0.5	0.09	0.39	0.12	0.31	0.14
20084	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	0.11	0.11	0.11	0.1	0.09	0.08	0.06	2.14	1.23	0.74	0.43	0.24	0.17	0.13	2.15	1.07	0.54	0.27	0.12	0.07	0.03	1	2	4	8	16	22	40	25.93	15.74	1.27	1	7.57	1	1.15	1.37	1.59	2	1.89	2.6	NA	NA	NA	NA	NA	1	0	1	0	1	0	1	0	1.12	0	0.96	0	1.12	0
20525	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	0.11	0.12	0.14	0.11	0.12	0.09	0.1	2.14	1.22	0.78	0.32	0.25	0.33	0.23	2.14	1.17	0.7	0.28	0.17	0.07	0.05	1	2	4	8	16	8	16	100	100	1	1	1	1	1.05	1.11	1.14	1.47	1.14	1.28	NA	NA	NA	NA	NA	1	0	0.91	0.01	0.76	0.03	0.96	0	0.79	0.03	0.96	0	0.67	0.03
20053	libgromacs_mpi.so.7.0.0 - bonded.cpp:2072-2095 [...]	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*,...	Innermost	0.1	0.1	0.1	0.1	0.1	0.09	0.09	1.91	1.02	0.71	0.47	0.28	0.22	0.19	1.91	0.95	0.47	0.27	0.13	0.07	0.04	1	2	4	8	16	23	43	0	12.9	3.89	1	7.84	1	1.09	1.51	1.74	2.15	2.2	3.17	NA	NA	NA	NA	NA	1	0	1.01	0	1.02	0	0.88	0.01	0.92	0.01	0.85	0.01	0.75	0.02
3849	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	0.09	0.09	0.08	0.08	0.09	0.08	0.07	1.66	0.91	0.46	0.28	0.2	0.14	0.09	1.66	0.89	0.39	0.21	0.13	0.06	0.03	1	2	4	8	16	24	48	83.33	84.66	1	1	1	1	1.03	1.18	1.33	1.54	1.75	1.8	NA	NA	NA	NA	NA	1	0	0.93	0.01	1.06	0	0.99	0	0.8	0.02	0.86	0.01	0.86	0.01
17904	libgromacs_mpi.so.7.0.0 - lincs.cpp:919-930 [...]	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	0.09	0.09	0.09	0.1	0.08	0.07	0.07	1.59	1.05	0.59	0.35	0.25	0.17	0.16	1.59	0.9	0.43	0.25	0.11	0.06	0.03	1	2	4	8	16	22	40	81.58	99.84	1	1	1	1	1.17	1.37	1.4	2.27	1.89	3.2	NA	NA	NA	NA	NA	1	0	0.88	0.01	0.92	0.01	0.8	0.02	0.9	0.01	0.83	0.01	0.83	0.01
20685	libgromacs_mpi.so.7.0.0 - pme_solve.cpp:499-511	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Innermost	0.08	0.08	0.07	0.07	0.07	0.06	0.05	1.56	0.82	0.38	0.22	0.15	0.2	0.17	1.56	0.81	0.36	0.17	0.1	0.05	0.02	1	2	4	8	16	8	16	95.24	100	1	1	1	1	1.02	1.06	1.29	1.5	1.05	1.89	NA	NA	NA	NA	NA	1	0	0.96	0	1.08	0	1.15	0	0.97	0	0.97	0	1.22	0
17992	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	0.08	0.08	0.07	0.07	0.07	0.06	0.06	1.46	0.86	0.42	0.23	0.14	0.09	0.06	1.46	0.73	0.37	0.19	0.09	0.05	0.03	1	2	4	8	16	24	48	20.59	15.07	1.12	1	6.76	1	1.18	1.14	1.21	1.56	1.5	1.5	NA	NA	NA	NA	NA	1	0	1	0	0.99	0	0.96	0	1.01	0	0.91	0.01	0.76	0.01
18457	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	0.1	0.08	0.1	0.06	0.07	1.26	0.88	0.55	0.24	0.2	0.12	0.08	1.26	0.86	0.49	0.21	0.14	0.05	0.03	1	2	4	8	16	24	48	100	100	1	1	1	1	1.02	1.12	1.14	1.54	1.71	2	NA	NA	NA	NA	NA	1	0	0.73	0.02	0.64	0.04	0.75	0.02	0.56	0.04	0.79	0.01	0.66	0.02
18241	libgromacs_mpi.so.7.0.0 - settle.cpp:423-674 [...]	void gmx::settleTemplate<gmx::SimdFloat, gmx::SimdFBool, 8, float const, true, true>(gmx::SettleData const&, int, int, float const, float const, float, float, float, float () [3], bool*)	Single	0.07	0.07	0.06	0.06	0.05	0.05	0.04	1.33	0.68	0.43	0.23	0.12	0.1	0.06	1.33	0.63	0.31	0.15	0.07	0.04	0.02	1	2	4	8	16	24	45	90.95	99.98	1	1	1	1	1.08	1.39	1.53	1.71	2	2	NA	NA	NA	NA	NA	1	0	1.06	0	1.07	0	1.11	0	1.19	0	1.04	0	1.04	0
20681	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	0.07	0.07	0.06	0.06	0.06	0.04	0.04	1.37	0.63	0.35	0.21	0.1	0.17	0.11	1.37	0.63	0.31	0.15	0.08	0.03	0.02	1	2	4	8	16	8	16	88.89	100	1	1	1	1	1.02	1.13	1.4	1.25	1.31	1.38	NA	NA	NA	NA	NA	1	0	1.09	0	1.1	0	1.14	0	1.07	0	1.43	0	1.07	0
20282	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	0.05	0.04	0.05	1.13	0.62	0.49	0.24	0.14	0.14	0.12	1.13	0.58	0.32	0.15	0.07	0.04	0.02	1	2	4	8	16	22	40	12.05	15.66	1.97	1.58	7.11	1	1.07	1.53	1.6	2	2.8	3	NA	NA	NA	NA	NA	1	0	0.97	0	0.88	0.01	0.94	0	1.01	0	0.88	0	0.88	0.01
20676	libgromacs_mpi.so.7.0.0 - pme_solve.cpp:234-586 [...]	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	InBetween	0.06	0.05	0.05	0.06	0.05	0.04	0.04	1.18	0.5	0.29	0.18	0.11	0.19	0.12	1.18	0.48	0.25	0.16	0.07	0.04	0.02	1	2	4	8	16	8	16	32.08	46.56	1.47	1	1.18	1	1.04	1.16	1.13	1.57	1.36	1.71	NA	NA	NA	NA	NA	1	0	1.23	0	1.18	0	0.92	0	1.05	0	0.92	0	0.92	0
3850	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	0.06	0.06	0.07	0.06	0.05	0.05	0.05	1.18	0.6	0.39	0.17	0.1	0.09	0.05	1.18	0.6	0.34	0.15	0.07	0.04	0.02	1	2	4	8	16	24	48	71.43	42.86	1	1.5	1.51	1	1.02	1.18	1.21	1.43	1.8	1.67	NA	NA	NA	NA	NA	1	0	0.98	0	0.87	0.01	0.98	0	1.05	0	0.92	0	0.92	0
19993	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	0.06	0.06	0.05	0.06	0.05	0.04	1.11	0.71	0.42	0.22	0.17	0.13	0.11	1.11	0.62	0.3	0.14	0.08	0.04	0.02	1	2	4	8	15	22	37	31.34	21.64	1.3	1.21	5.22	1	1.16	1.4	1.57	1.89	2.6	2.75	NA	NA	NA	NA	NA	1	0	0.9	0.01	0.93	0	0.99	0	0.87	0.01	0.87	0.01	0.87	0.01
20678	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	0.06	0.06	0.06	0.05	0.06	0.05	0.04	1.21	0.57	0.36	0.18	0.12	0.18	0.1	1.21	0.56	0.31	0.14	0.09	0.04	0.02	1	2	4	8	16	8	16	60	65	1	1	1	1	1.04	1.16	1.29	1.5	1.2	1.25	NA	NA	NA	NA	NA	1	0	1.08	0	0.98	0	1.08	0	0.84	0.01	0.95	0	0.95	0
20056	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*...	Innermost	0.05	0.05	0.04	0.04	0.03	0.03	0.03	0.96	0.48	0.3	0.19	0.24	0.13	0.09	0.96	0.48	0.21	0.11	0.05	0.03	0.01	1	2	4	8	8	8	16	80	86.04	1	1	1	1	1	1.43	1.73	2.67	1.18	1.5	NA	NA	NA	NA	NA	1	0	1	0	1.14	0	1.09	0	1.2	0	1	0	1.5	0
20692	libgromacs_mpi.so.7.0.0 - pme_solve.cpp:441-454	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Innermost	0.05	0.05	0.06	0.05	0.05	0.04	0.04	1.02	0.52	0.32	0.17	0.08	0.15	0.09	1.02	0.48	0.29	0.13	0.07	0.04	0.02	1	2	4	8	16	8	16	0	12.5	1.42	1	8	1	1.08	1.1	1.31	1.14	1.07	1.29	NA	NA	NA	NA	NA	1	0	1.06	0	0.88	0.01	0.98	0	0.91	0	0.8	0.01	0.8	0.01
20118	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	0.05	0.05	0.04	0.04	0.03	0.03	0.92	0.5	0.35	0.2	0.12	0.06	0.1	0.92	0.46	0.25	0.11	0.06	0.02	0.01	1	2	4	7	15	20	35	20	15.63	1.74	1	7.38	1	1.11	1.46	1.54	1.71	2	3.33	NA	NA	NA	NA	NA	1	0	1	0	0.92	0	1.05	0	0.96	0	1.44	0	1.44	0
3845	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	0.05	0.05	0.05	0.05	0.06	0.05	0.05	0.94	0.53	0.31	0.15	0.1	0.09	0.05	0.95	0.5	0.27	0.13	0.08	0.04	0.02	1	2	4	8	16	24	48	5.26	43.09	1.45	1	1.45	1	1.06	1.19	1.15	1.25	1.8	1.67	NA	NA	NA	NA	NA	1	0	0.95	0	0.88	0.01	0.91	0	0.74	0.02	0.74	0.01	0.74	0.01
20683	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	0.05	0.05	0.04	0.04	0.04	0.03	0.03	0.92	0.48	0.27	0.13	0.07	0.15	0.08	0.92	0.44	0.21	0.11	0.05	0.03	0.01	1	2	4	8	16	8	16	83.33	100	1	1	1	1	1.12	1.29	1.18	1.4	1.36	1.6	NA	NA	NA	NA	NA	1	0	1.05	0	1.1	0	1.05	0	1.15	0	0.96	0	1.44	0
5938	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	0.05	0.05	0.04	0.05	0.05	0.05	0.03	0.86	0.53	0.22	0.18	0.14	0.11	0.06	0.86	0.44	0.18	0.13	0.06	0.04	0.02	1	2	4	8	15	22	36	97.87	97.87	1.08	1	1	1	1.2	1.22	1.38	2	1.83	2	NA	NA	NA	NA	NA	1	0	0.98	0	1.19	0	0.83	0.01	0.9	0.01	0.67	0.02	0.67	0.01
3846	libgromacs_mpi.so.7.0.0 - pairlist_simd_2xmm.h:62-246 [...]	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	0.05	0.05	0.04	0.04	0.04	0.03	0.03	0.95	0.44	0.29	0.12	0.08	0.05	0.04	0.95	0.44	0.22	0.1	0.06	0.02	0.01	1	2	4	8	16	24	46	0	15.31	1	1	6.75	1	1	1.38	1.2	1.33	1.67	2	NA	NA	NA	NA	NA	1	0	1.08	0	1.08	0	1.19	0	0.99	0	1.48	0	1.48	0
18414	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	0.05	0.04	0.03	0.04	0.03	0.03	0.75	0.44	0.25	0.11	0.09	0.06	0.04	0.75	0.45	0.19	0.09	0.06	0.03	0.02	1	2	4	8	16	24	47	NA	NA	1	NA	NA	1	1	1.32	1.22	1.8	2	2	NA	NA	NA	NA	NA	1	0	0.83	0.01	0.99	0	1.04	0	0.78	0.01	0.78	0.01	0.59	0.01
20691	libgromacs_mpi.so.7.0.0 - pme_solve.cpp:457-470	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Innermost	0.04	0.04	0.05	0.05	0.04	0.03	0.03	0.82	0.5	0.29	0.17	0.09	0.15	0.07	0.82	0.42	0.25	0.12	0.05	0.03	0.01	1	2	4	8	16	8	16	0	12.5	1.42	1	8	1	1.19	1.16	1.42	1.8	1.36	1.4	NA	NA	NA	NA	NA	1	0	0.98	0	0.82	0.01	0.85	0.01	1.02	0	0.85	0	1.28	0
3869	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	0.05	0.05	0.06	0.04	0.04	0.04	0.78	0.46	0.26	0.18	0.1	0.07	0.05	0.78	0.45	0.24	0.14	0.06	0.03	0.02	1	2	4	8	16	24	46	0	13.64	1	1	7.56	1	1.02	1.08	1.29	1.67	1.75	2.5	NA	NA	NA	NA	NA	1	0	0.87	0.01	0.81	0.01	0.7	0.02	0.81	0.01	0.81	0.01	0.61	0.02
3847	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	0.03	0.03	0.02	0.01	0.02	0.01	0.01	0.55	0.31	0.12	0.06	0.04	0.03	0.01	0.55	0.26	0.11	0.04	0.03	0.01	0	1	2	4	8	16	23	27	0	14.58	1	1	7	1	1.19	1.2	1.5	1.33	3	1	NA	NA	NA	NA	NA	1	0	1.06	0	1.25	0	1.72	0	1.15	0	1.72	0	1	0
1932	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	0.03	0.04	0.04	0.05	0.05	0.5	0.33	0.18	0.13	0.09	0.08	0.06	0.5	0.3	0.16	0.1	0.06	0.04	0.02	1	2	4	8	16	24	48	30.77	41.67	1	1	1	1	1.1	1.13	1.3	1.5	1.6	2	NA	NA	NA	NA	NA	1	0	0.83	0	0.78	0.01	0.63	0.01	0.52	0.02	0.39	0.03	0.39	0.03
20834	libgromacs_mpi.so.7.0.0 - fft5d.cpp:880-886	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	InBetween	0.03	0.02	0.02	0.02	0.01	0.01	0.01	0.49	0.16	0.11	0.07	0.04	0.06	0.03	0.49	0.16	0.08	0.05	0.02	0.01	0	1	2	4	8	16	8	16	0	12.5	1	1	8	1	1	1.38	1.4	2	1.5	1.5	NA	NA	NA	NA	NA	1	0	1.53	0	1.53	0	1.22	0	1.53	0	1.53	0	1	0
17267	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	0.03	0.02	0.02	0.02	0.02	0.02	0.52	0.31	0.16	0.09	0.06	0.04	0.03	0.52	0.27	0.11	0.06	0.03	0.01	0.01	1	2	4	8	16	23	43	0	12.8	1	1	8	1	1.15	1.45	1.5	2	2	3	NA	NA	NA	NA	NA	1	0	0.96	0	1.18	0	1.08	0	1.08	0	1.63	0	0.81	0
17892	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	0.03	0.03	0.04	0.04	0.04	0.03	0.04	0.57	0.3	0.23	0.2	0.13	0.09	0.09	0.57	0.3	0.18	0.12	0.05	0.03	0.02	1	2	4	8	15	22	40	0	15.18	2.5	1	6.67	1	1	1.28	1.67	2.6	2.25	3	NA	NA	NA	NA	NA	1	0	0.95	0	0.79	0.01	0.59	0.02	0.71	0.01	0.59	0.01	0.45	0.02
3848	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	0.03	0.03	0.03	0.03	0.03	0.03	0.02	0.52	0.29	0.15	0.09	0.06	0.06	0.03	0.52	0.26	0.14	0.07	0.04	0.02	0.01	1	2	4	8	16	24	45	66.67	40.83	1	1.43	1.67	1	1.16	1.15	1.29	1.5	2	3	NA	NA	NA	NA	NA	1	0	1	0	0.93	0	0.93	0	0.81	0.01	0.81	0.01	0.81	0
20688	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	0.02	0.02	0.02	0.02	0.02	0.01	0.02	0.41	0.21	0.11	0.1	0.04	0.09	0.05	0.41	0.2	0.1	0.06	0.03	0.01	0.01	1	2	4	8	16	8	16	76.67	100	1	1	1	1	1.05	1.1	2	1.33	1.8	1.67	NA	NA	NA	NA	NA	1	0	1.02	0	1.02	0	0.85	0	0.85	0	1.28	0	0.64	0.01
18301	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	0.02	0.04	0.04	0.05	0.05	0.05	0.05	0.41	0.36	0.27	0.19	0.12	0.1	0.08	0.41	0.34	0.21	0.14	0.07	0.04	0.02	1	2	4	8	16	24	48	77.42	83.06	2	1	1	1	1.06	1.29	1.36	1.71	1.67	2.67	NA	NA	NA	NA	NA	1	0	0.6	0.02	0.49	0.02	0.37	0.03	0.37	0.03	0.32	0.03	0.32	0.03
4947	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	0.41							0.41							1							0	16.35	1	1	7	1	0	0	0	0	0	0	NA	NA	NA	NA	NA	1	0
18447	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	0.02	0.02	0.01	0.02	0.36	0.14	0.1	0.06	0.05	0.04	0.03	0.36	0.14	0.08	0.04	0.03	0.01	0.01	1	2	4	8	16	22	44	25.71	20	1.08	1.05	5.6	1	1	1.43	1.5	2.5	2	3	NA	NA	NA	NA	NA	1	0	1.29	0	1.13	0	1.13	0	0.75	0.01	1.13	0	0.56	0.01
3864	libgromacs_mpi.so.7.0.0 - pairlist_simd_2xmm.h:62-74 [...]	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	0.02	0.03	0.03	0.04	0.04	0.04	0.04	0.46	0.35	0.16	0.1	0.09	0.09	0.05	0.46	0.33	0.15	0.09	0.06	0.03	0.02	1	2	4	8	16	24	48	31.61	43.81	4.49	1	1.25	1	1.06	1.14	1.11	1.5	2.25	1.67	NA	NA	NA	NA	NA	1	0	0.7	0.01	0.77	0.01	0.64	0.01	0.48	0.02	0.48	0.02	0.36	0.03
17914	libgromacs_mpi.so.7.0.0 - lincs.cpp:1087-1089 [...]	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	0.03	0.03	0.04	0.04	0.03	0.03	0.44	0.3	0.26	0.18	0.11	0.1	0.05	0.44	0.26	0.15	0.1	0.05	0.03	0.01	1	2	4	7	16	21	36	18.52	14.81	1.15	1	6.89	1	1.2	1.86	1.64	2.2	2.5	2.5	NA	NA	NA	NA	NA	1	0	0.85	0	0.73	0.01	0.55	0.02	0.55	0.02	0.46	0.02	0.69	0.01
1350	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	0.02	0.02	0.01	0.01	0.38	0.23	0.14	0.09	0.12	0.08	0.06	0.38	0.19	0.1	0.05	0.02	0.01	0.01	1	2	4	8	6	8	15	94.41	97.9	1	1	1	1	1.21	1.56	1.8	2	2	2	NA	NA	NA	NA	NA	1	0	1	0	0.95	0	0.95	0	1.19	0	1.19	0	0.59	0
6337	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	0.02	0.02	0.06	0.05	0.04	0.29	0.22	0.11	0.08	0.24	0.16	0.1	0.29	0.21	0.08	0.04	0.09	0.04	0.02	1	2	4	8	15	22	38	6.67	17.08	7.86	2.34	7.33	1	1.05	1.38	2	2.67	2.67	3.33	NA	NA	NA	NA	NA	1	0	0.69	0.01	0.91	0	0.91	0	0.2	0.05	0.23	0.04	0.23	0.03
20544	libgromacs_mpi.so.7.0.0 - pme_grid.cpp:440-442	wrap_periodic_pmegrid(gmx_pme_t const, float)	Innermost	0.02	0.02	0.02	0.01	0.01	0.01	0.01	0.31	0.19	0.12	0.05	0.04	0.03	0.03	0.32	0.18	0.08	0.03	0.02	0.01	0	1	2	4	8	16	8	16	100	100	1	1	1	1	1.06	1.5	1.67	2	1.5	1.5	NA	NA	NA	NA	NA	1	0	0.89	0	1	0	1.33	0	1	0	1	0	1	0
18015	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	0.03	0.03	0.16	0.15	0.07	0.08	0.04	0.04	0.04	0.16	0.11	0.06	0.05	0.02	0.02	0.02	1	2	4	8	15	24	48	9.76	15.55	4.72	1	7.55	1	1.36	1.17	1.6	1.33	1.33	2	NA	NA	NA	NA	NA	1	0	0.73	0	0.67	0	0.4	0.01	0.5	0.01	0.25	0.02	0.13	0.03
3861	libgromacs_mpi.so.7.0.0 - pairlist.cpp:3207-3238 [...]	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	0.15	0.12	0.07	0.04	0.04	0.03	0.02	0.15	0.09	0.06	0.03	0.02	0.01	0	1	2	4	8	16	21	39	5.88	13.24	2.42	1	7.73	1	1.33	1.17	1.33	2	1.5	2	NA	NA	NA	NA	NA	1	0	0.83	0	0.63	0	0.63	0	0.47	0.01	0.47	0.01	1	0
20117	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	0.14	0.08	0.07	0.05	0.04	0.04	0.01	0.14	0.08	0.04	0.02	0.01	0.01	0	1	2	3	6	11	17	24	0	12.5	8.33	1	8	1	1	1.4	1.67	2	4	1	NA	NA	NA	NA	NA	1	0	0.88	0	0.88	0	0.88	0	0.88	0	0.44	0.01	1	0
3860	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	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.2	0.08	0.05	0.04	0.04	0.02	0.02	0.2	0.08	0.04	0.02	0.02	0.01	0	1	2	4	8	16	19	30	0	12.5	1	1	8	1	1	1.25	2	2	2	2	NA	NA	NA	NA	NA	1	0	1.25	0	1.25	0	1.25	0	0.63	0	0.63	0	1	0
3859	libgromacs_mpi.so.7.0.0 - pairlist.cpp:607-3490 [...]	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	0.02	0.02	0.02	0.21	0.17	0.09	0.04	0.04	0.05	0.04	0.21	0.13	0.06	0.03	0.03	0.02	0.01	1	2	4	8	16	24	46	0	12.5	2.29	1	8	1	1.31	1.5	1.33	1.33	2.5	4	NA	NA	NA	NA	NA	1	0	0.81	0	0.88	0	0.88	0	0.44	0.01	0.33	0.01	0.33	0.01
4944	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	0.17							0.17							1							0	16.67	1	1	8	1	0	0	0	0	0	0	NA	NA	NA	NA	NA	1	0
5933	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	0.01	0.01	0.01	0.01	0.02	0.01	0.01	0.16	0.12	0.08	0.07	0.04	0.04	0.03	0.16	0.1	0.05	0.04	0.02	0.01	0.01	1	2	4	8	15	18	35	10.61	32.2	3.83	1.74	1.5	1	1.33	1.6	1.75	1.33	2	3	NA	NA	NA	NA	NA	1	0	0.8	0	0.8	0	0.5	0.01	0.5	0.01	0.5	0.01	0.25	0.01
3770	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	0.01	0.01	0.02	0.02	0.02	0.02	0.12	0.13	0.08	0.06	0.1	0.06	0.03	0.12	0.11	0.06	0.04	0.03	0.02	0.01	1	2	4	8	16	24	46	0	12.5	17	1	8	1	1.18	1.33	1.5	3.33	3	1.5	NA	NA	NA	NA	NA	1	0	0.55	0	0.5	0.01	0.38	0.01	0.25	0.01	0.19	0.02	0.19	0.02
3865	libgromacs_mpi.so.7.0.0 - pairlist.cpp:152-3518 [...]	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	0.02	0.02	0.03	0.12	0.11	0.08	0.09	0.04	0.04	0.03	0.12	0.09	0.06	0.05	0.03	0.02	0.01	1	2	4	8	16	24	42	0	17.89	11.75	1	6.54	1	1.22	1.33	1.8	1.33	2	1.5	NA	NA	NA	NA	NA	1	0	0.67	0	0.5	0.01	0.3	0.01	0.25	0.01	0.19	0.02	0.19	0.02
20684	libgromacs_mpi.so.7.0.0 - pme_solve.cpp:234-587 [...]	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Outermost	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.22	0.08	0.06	0.03	0.03	0.04	0.03	0.22	0.06	0.05	0.02	0.01	0.01	0	1	2	4	8	14	8	14	27.88	40.74	1.6	1	1.27	1	1.33	1.2	1.5	3	2	3	NA	NA	NA	NA	NA	1	0	1.83	0	1.1	0	1.38	0	1.38	0	0.69	0	1	0
20503	libgromacs_mpi.so.7.0.0 - pme_grid.cpp:537-539	unwrap_periodic_pmegrid(gmx_pme_t, float) [clone ._omp_fn.1]	Innermost	0.01	0.03	0.03	0.03	0.03	0.01	0.02	0.27	0.28	0.15	0.09	0.06	0.08	0.06	0.27	0.25	0.13	0.07	0.04	0.01	0.01	1	2	4	8	16	8	16	100	100	1	1	1	1	1.12	1.15	1.29	1.5	2	2	NA	NA	NA	NA	NA	1	0	0.54	0.01	0.52	0.01	0.48	0.02	0.42	0.02	0.84	0	0.42	0.01
17909	libgromacs_mpi.so.7.0.0 - lincs.cpp:1215-1223	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	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.13	0.07	0.05	0.05	0.03	0.03	0.04	0.13	0.07	0.04	0.03	0.01	0.01	0.01	1	2	4	8	12	19	31	4.76	13.1	1	1	7.64	1	1.17	1.25	1.67	1.5	3	4	NA	NA	NA	NA	NA	1	0	0.93	0	0.81	0	0.54	0	0.81	0	0.41	0.01	0.2	0.01
2887	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	0.02	0.01	0.02	0.01	0.19	0.13	0.09	0.07	0.03	0.03	0.02	0.19	0.12	0.07	0.05	0.02	0.01	0.01	1	2	4	8	16	24	41	NA	NA	1	NA	NA	1	1.08	1.29	1.75	1.5	1.5	2	NA	NA	NA	NA	NA	1	0	0.79	0	0.68	0	0.47	0.01	0.59	0	0.59	0.01	0.3	0.01
3868	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	0.21	0.14	0.08	0.07	0.02	0.03	0.02	0.21	0.13	0.07	0.04	0.01	0.01	0	1	2	4	8	16	23	35	0	12.5	1	1	8	1	1.08	1.14	2.33	2	3	2	NA	NA	NA	NA	NA	1	0	0.81	0	0.75	0	0.66	0	1.31	0	0.66	0	1	0
20085	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	0.2	0.15	0.05	0.04	0.05	0.03	0.02	0.2	0.12	0.04	0.02	0.01	0.01	0	1	2	4	8	13	19	22	10	13.75	2.5	1	7.84	1	1.25	1.25	2	2.5	3	2	NA	NA	NA	NA	NA	1	0	0.83	0	1.25	0	1.25	0	1.25	0	0.63	0	1	0
20687	libgromacs_mpi.so.7.0.0 - pme_solve.cpp:486-496	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Innermost	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.19	0.13	0.06	0.05	0.03	0.06	0.03	0.19	0.1	0.06	0.03	0.02	0.01	0	1	2	4	8	16	8	15	81.82	84.09	1	1	1	1	1.3	1.2	1.67	1.5	2	1.5	NA	NA	NA	NA	NA	1	0	0.95	0	0.79	0	0.79	0	0.59	0	0.59	0	1	0
20644	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	0.03	0.04	0.01	0	0		0.42	0.19	0.12	0.03				0.41	0.17	0.09	0.01				2	4	8	16			12.5	18.75	1.14	1.19	5.57	0	1.02	1.12	1.33	3	0	0	NA	NA	NA	NA	NA			1	0	1	0	1	0	1	0
20645	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	0.09	0.1						0.37	0.26						0.07	0.05						8	16	0	13.27	1.49	1	7.85	0	0	0	0	0	1.28	1.37	NA	NA	NA	NA	NA											1	0	1	0
4654	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	0.06	0.08		0.12	0.18	0.16	0.12	0.11	0.09		0.06	0.11	0.12	0.07	0.05	0.04		1	3	7	15	23	47	NA	NA	1	NA	NA	0	1	1.2	1.23	1.71	1.57	1.8	NA	NA	NA	NA	NA			1	0	1	0	1	0	1	0	1	0	1	0
4942	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						0.02	0.03						0	0						17	30	NA	NA	1	NA	NA	0	0	0	0	0	2	3	NA	NA	NA	NA	NA											1	0	1	0
4972	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		0.1	0.07	0.05	0.03	0.04	0.03		0.07	0.04	0.02	0.02	0.01	0.01		2	4	8	15	23	39	0	17.19	1	1	6.15	0	1.43	1.75	2.5	1.5	2	3	NA	NA	NA	NA	NA			1	0	1	0	1	0	1	0	1	0	1	0
4962	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						0.03	0.03						0.01	0.01						23	38	NA	NA	1	NA	NA	0	0	0	0	0	1.5	3	NA	NA	NA	NA	NA											1	0	1	0
4665	libgromacs_mpi.so.7.0.0 - domdec.cpp:428-432 [...]	dd_move_f(gmx_domdec_t, gmx::ForceWithShiftForces, gmx_wallcycle*)	Single	0	0.03	0.05	0.1	0.14	0.13	0.15		0.28	0.27	0.31	0.26	0.2	0.14		0.26	0.24	0.26	0.2	0.11	0.07		2	4	8	16	24	48	12.5	14.06	1.12	1	7.2	0	1.08	1.13	1.19	1.3	1.43	1.56	NA	NA	NA	NA	NA			1	0	1	0	1	0	1	0	1	0	1	0
20825	libgromacs_mpi.so.7.0.0 - fft5d.cpp:814-820	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	InBetween	0	0.03	0.09	0.07	0.22	0.07	0.17		0.27	0.52	0.26	0.35	0.27	0.39		0.25	0.46	0.2	0.31	0.06	0.08		2	4	8	16	8	16	0	12.5	1	1	8	0	1.08	1.13	1.37	1.13	1.17	1.22	NA	NA	NA	NA	NA			1	0	1	0	1	0	1	0	1	0	1	0
4828	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	0.04	0.07	0.06	0.06	0.07			0.3	0.26	0.13	0.12	0.11			0.21	0.18	0.08	0.05	0.04			4	8	16	24	47	0	12.5	1.29	1	8	0	0	1.43	1.44	1.63	2	2.2	NA	NA	NA	NA	NA					1	0	1	0	1	0	1	0	1	0
5172	libgromacs_mpi.so.7.0.0 - hashedmap.h:290-293	gmx::dd_partition_system(_IO_FILE, gmx::MDLogger const&, long, t_commrec const, bool, int, t_state, gmx_mtop_t const&, t_inputrec const&, gmx::ImdSession, pull_t, t_state, gmx::ForceBuffers, gmx::MDAtoms, gmx_localtop_t, t_forcerec, g...	Single	0	0	0	0	0	0.01	0.01						0.02	0.01						0	0						18	26	NA	NA	1	NA	NA	0	0	0	0	0	2	1	NA	NA	NA	NA	NA											1	0	1	0
5088	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						0.03	0.01						0.01	0						21	34	0	12.5	1	1	8	0	0	0	0	0	3	1	NA	NA	NA	NA	NA											1	0	1	0
20642	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	0.06	0.06	0.08	0	0		0.46	0.32	0.22	0.16				0.46	0.3	0.17	0.12				2	4	8	16			11.11	18.75	1.57	1.4	6.13	0	1	1.07	1.29	1.33	0	0	NA	NA	NA	NA	NA			1	0	1	0	1	0	1	0
4833	libgromacs_mpi.so.7.0.0 - domdec_specatomcomm.cpp:234-237 [...]	dd_move_x_specat(gmx_domdec_t const, gmx_domdec_specat_comm_t, float const () [3], float () [3], float (*) [3], bool)	Innermost	0	0	0.01	0.01	0.01	0.01	0.01			0.08	0.1	0.06	0.02	0.03			0.03	0.02	0.01	0	0			2	2	11	13	18	20	20	1.69	1.5	6.75	0	0	1.33	1.43	3	2	3	NA	NA	NA	NA	NA					1	0	1	0	1	0	1	0	1	0
20659	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	0.04	0.02		0.52	0.27	0.19	0.04	0.17	0.07		0.48	0.25	0.12	0.02	0.04	0.01		2	4	8	16	8	16	0	13.89	1.25	1	8	0	1.08	1.08	1.58	2	1.21	1.75	NA	NA	NA	NA	NA			1	0	1	0	1	0	1	0	1	0	1	0
4938	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	0.03	0.03	0.03	0.04	0.03	0.03		0.31	0.23	0.12	0.1	0.07	0.05		0.28	0.15	0.08	0.05	0.02	0.01		2	4	8	15	21	36	0	16.22	2.75	1	7.44	0	1.11	1.53	1.5	2	2.33	1.67	NA	NA	NA	NA	NA			1	0	1	0	1	0	1	0	1	0	1	0
20660	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	0.09	0.09	0.11	0.18	0.08	0.12		0.85	0.55	0.35	0.3	0.38	0.28		0.83	0.46	0.28	0.25	0.07	0.06		2	4	8	16	8	16	0	12.81	1.8	1	8	0	1.04	1.2	1.25	1.25	1.36	1.22	NA	NA	NA	NA	NA			1	0	1	0	1	0	1	0	1	0	1	0
20506	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	0.02	0.05	0.02	0.03		0.09	0.08	0.07	0.15	0.08	0.09		0.08	0.07	0.06	0.07	0.01	0.02		2	4	8	16	8	16	100	100	1	1	1	0	1.13	1.14	1.17	2.14	1.6	1.5	NA	NA	NA	NA	NA			1	0	1	0	1	0	1	0	1	0	1	0
20638	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	0.16	0.16	0.15	0.14	0.12	0.1		1.61	0.83	0.46	0.28	0.49	0.23		1.51	0.8	0.4	0.2	0.1	0.05		2	4	8	16	8	16	20	15	3.09	1	7.54	0	1.07	1.04	1.15	1.4	1.26	1.28	NA	NA	NA	NA	NA			1	0	1	0	1	0	1	0	1	0	1	0
4939	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		0.25	0.16	0.14	0.09	0.07	0.06		0.18	0.11	0.08	0.04	0.02	0.01		2	4	8	16	20	39	0	12.5	1	1	8	0	1.47	1.45	1.75	2.25	2.33	3	NA	NA	NA	NA	NA			1	0	1	0	1	0	1	0	1	0	1	0
20636	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	0.05	0.05						0.09	0.06						0.04	0.02						24	48	14.29	19.64	1	1	5.49	0	0	0	0	0	1.8	2	NA	NA	NA	NA	NA											1	0	1	0
20826	libgromacs_mpi.so.7.0.0 - fft5d.cpp:818-820	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	Innermost	0	0.26	0.15	0.15	0	0.12	0		2.77	0.85	0.44		0.45			2.51	0.77	0.39		0.1			2	4	8		8		NA	NA	1	NA	NA	0	1.1	1.12	1.13	0	1.1	0	NA	NA	NA	NA	NA			1	0	1	0	1	0			1	0
4825	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	0.03	0	0	0	0	0		0.3							0.28							2						0	12.5	1.29	1	8	0	1.07	0	0	0	0	0	NA	NA	NA	NA	NA			1	0
4655	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		0.15	0.21	0.14	0.1	0.13	0.08		0.08	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	1.67	2.6	2	NA	NA	NA	NA	NA			1	0	1	0	1	0	1	0	1	0	1	0

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