OV - Stability Loops

Loop ID	Source Location	Source Function	Level	Coverage (%)	min (Coverage) (%)	avg (Coverage) (%)	med (Coverage) (%)	max (Coverage) (%)	Max Time Over Threads (s)	min (Max Time Over Threads) (s)	avg (Max Time Over Threads) (s)	med (Max Time Over Threads) (s)	max (Max Time Over Threads) (s)	Time w.r.t. Wall Time (s)	min (Time w.r.t. Wall Time) (s)	avg (Time w.r.t. Wall Time) (s)	med (Time w.r.t. Wall Time) (s)	max (Time w.r.t. Wall Time) (s)	Run Count
987	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:182-399,kernel_inner.h:201-893,kernel_outer.h:547-547,impl_x86_avx_512_util_float.h:95-371	nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	19.06	18.15	19.05	19.08	19.22	12.78	12.68	12.85	12.85	13.15	10.22	10.15	10.24	10.23	10.31	31
985	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:182-399,kernel_inner.h:201-893,kernel_outer.h:565-565,impl_x86_avx_512_util_float.h:95-371	nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	7.01	6.66	7.00	7.02	7.1	9.39	8.75	9.20	9.2	9.52	3.76	3.73	3.76	3.76	3.8	31
21809	libgromacs_mpi.so.7 - fft5d.cpp:884-886	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	Innermost	4.16	3.88	4.06	4.06	4.21	2.53	2.34	2.51	2.5	2.67	2.23	2.1	2.18	2.17	2.27	31
994	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:182-399,kernel_inner.h:201-893,kernel_outer.h:547-547,impl_x86_avx_512_util_float.h:95-371	nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	2.82	2.68	2.83	2.84	2.88	2.06	1.9	2.03	2.01	2.19	1.51	1.5	1.52	1.52	1.54	31
21402	libgromacs_mpi.so.7 - impl_x86_avx_512_simd4_float.h:56-288,impl_x86_avx_512_simd_float.h:58-353,stl_vector.h:1143-1143,vectypes.h:102-120,pme_gather.cpp:76-348,impl_x86_avx_512_util_float.h:480-493	gather_f_bsplines(gmx_pme_t const, float const, bool, PmeAtomComm const, splinedata_t const, float)	Outermost	1.96	1.88	1.98	1.98	2.02	1.41	1.4	1.46	1.45	1.53	1.05	1.04	1.06	1.06	1.08	31
21401	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:58-203,impl_x86_avx_512_util_float.h:493-493	gather_f_bsplines(gmx_pme_t const, float const, bool, PmeAtomComm const, splinedata_t const, float)	Innermost	1.9	1.81	1.88	1.88	1.93	1.29	1.25	1.32	1.31	1.47	1.02	0.98	1.01	1.01	1.04	31
21742	libgromacs_mpi.so.7 - pme_spread.cpp:639-641	_INTERNALae0e43be::reduce_threadgrid_overlap(gmx_pme_t const, pmegrids_t const, int, float, float, float*, int)	Innermost	1.73	1.57	1.71	1.71	1.75	1.11	1.04	1.10	1.11	1.17	0.93	0.88	0.92	0.92	0.94	31
21746	libgromacs_mpi.so.7 - pme_spread.cpp:277-292	_INTERNALae0e43be::make_bsplines(float, float, int, float () [3], int, int const, float const*, bool)	Outermost	1.65	1.58	1.64	1.64	1.68	1.16	1.08	1.16	1.16	1.25	0.89	0.86	0.88	0.88	0.9	31
21753	libgromacs_mpi.so.7 - impl_x86_avx_512_simd4_float.h:56-267,iterator_interface.hpp:305-305,stl_vector.h:1124-1143,pme_simd4.h:61-153,pme_spread.cpp:331-400	_INTERNALae0e43be::spread_coefficients_bsplines_thread(pmegrid_t const, PmeAtomComm const, splinedata_t, pme_spline_work)	Outermost	1.62	1.56	1.63	1.63	1.67	1.12	1.08	1.14	1.12	1.21	0.87	0.86	0.88	0.88	0.89	31
18653	libgromacs_mpi.so.7 - arrayref.h:263-263,lincs.cpp:276-287	_INTERNAL1bba7552::gmx::lincs_matrix_expand(_INTERNAL1bba7552::gmx::Lincs const&, _INTERNAL1bba7552::gmx::Task const&, _INTERNAL1bba7552::gmx::ArrayRef, _INTERNAL1bba7552::gmx::ArrayRef, _INTERNAL1bba7552::gmx::ArrayRef, _INTERNAL1bba7552::gmx::ArrayRef)	InBetween	1.45	1.38	1.47	1.47	1.5	0.95	0.83	0.90	0.9	0.95	0.78	0.77	0.79	0.79	0.81	31
2124	libgromacs_mpi.so.7 - iterator_interface.hpp:166-459,arrayref.h:85-85,kernel_common.cpp:54-56	void _INTERNALecfc3c36::clearBufferFlagged<3>(nbnxn_atomdata_t const&, int, gmx::ArrayRef)	Innermost	1.42	1.37	1.44	1.44	1.52	1.07	1.01	1.08	1.08	1.17	0.76	0.73	0.77	0.77	0.81	31
992	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:182-399,kernel_inner.h:201-893,kernel_outer.h:565-565,impl_x86_avx_512_util_float.h:95-371	nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	1.09	1.04	1.10	1.1	1.13	1.48	1.31	1.47	1.45	1.91	0.59	0.57	0.59	0.59	0.61	31
21741	libgromacs_mpi.so.7 - pme_spread.cpp:524-641	_INTERNALae0e43be::reduce_threadgrid_overlap(gmx_pme_t const, pmegrids_t const, int, float, float, float*, int)	InBetween	1.05	0.96	1.03	1.04	1.07	0.69	0.63	0.68	0.68	0.78	0.57	0.54	0.56	0.56	0.57	31
21717	libgromacs_mpi.so.7 - pme_spread.cpp:445-447	L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_910__par_region0_2_2	Single	0.97	0.9	0.95	0.95	0.99	0.64	0.59	0.65	0.65	0.76	0.52	0.49	0.51	0.51	0.53	31
18661	libgromacs_mpi.so.7 - iterator_interface.hpp:459-459,arrayref.h:82-85,lincs.cpp:417-432	_INTERNAL1bba7552::gmx::lincs_update_atoms_ind(_INTERNAL1bba7552::gmx::ArrayRef, _INTERNAL1bba7552::gmx::ArrayRef<_INTERNAL1bba7552::gmx::AtomPair const>, float, _INTERNAL1bba7552::gmx::ArrayRef, _INTERNAL1bba7552::gmx::ArrayRef<_INTERNAL1bba7552::gmx::BasicVector const>, _INTERNAL1bba7552::gmx::ArrayRef, float (*) [3])	Single	0.92	0.91	0.94	0.95	0.97	0.83	0.72	0.86	0.86	1.01	0.49	0.49	0.51	0.51	0.52	31
988	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:71-462,stl_vector.h:1143-1143,kernel_inner.h:201-893,kernel_outer.h:541-544,impl_x86_avx_512_util_float.h:95-371	nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	0.92	0.85	0.90	0.9	0.94	0.67	0.62	0.69	0.68	0.74	0.49	0.47	0.48	0.48	0.5	31
18654	libgromacs_mpi.so.7 - lincs.cpp:282-284	_INTERNAL1bba7552::gmx::lincs_matrix_expand(_INTERNAL1bba7552::gmx::Lincs const&, _INTERNAL1bba7552::gmx::Task const&, _INTERNAL1bba7552::gmx::ArrayRef, _INTERNAL1bba7552::gmx::ArrayRef, _INTERNAL1bba7552::gmx::ArrayRef, _INTERNAL1bba7552::gmx::ArrayRef)	Innermost	0.9	0.86	0.89	0.88	0.91	0.83	0.76	0.85	0.84	0.97	0.48	0.46	0.48	0.48	0.49	31
986	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:182-462,stl_vector.h:1143-1143,kernel_inner.h:201-893,kernel_outer.h:559-562,impl_x86_avx_512_util_float.h:95-371	nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	0.7	0.66	0.69	0.69	0.72	0.88	0.83	0.92	0.92	1.02	0.37	0.36	0.37	0.37	0.38	31
21719	libgromacs_mpi.so.7 - pme_spread.cpp:104-145	_INTERNALae0e43be::calc_interpolation_idx(gmx_pme_t const, PmeAtomComm, int, int, int, int)	Single	0.69	0.62	0.66	0.66	0.69	0.48	0.42	0.49	0.49	0.59	0.37	0.34	0.35	0.36	0.37	31
982	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:58-462,stl_vector.h:1143-1143,kernel_inner.h:201-893,stl_iterator.h:1107-1240,kernel_outer.h:335-612,impl_x86_avx_512_util_float.h:95-473	nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Outermost	0.67	0.63	0.67	0.67	0.69	0.63	0.57	0.65	0.66	0.74	0.36	0.34	0.36	0.36	0.37	31
1594	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:182-182,atomdata.cpp:1122-1221	L__ZN17_INTERNALa817b2b737nbnxn_atomdata_add_nbat_f_to_f_reduceEP16nbnxn_atomdata_ti_1188__par_region0_2_51	Innermost	0.58	0.55	0.61	0.61	0.68	0.54	0.51	0.58	0.58	0.66	0.31	0.3	0.33	0.33	0.37	31
21816	libgromacs_mpi.so.7 - fft5d.cpp:947-949	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	Innermost	0.57	0.54	0.58	0.58	0.61	0.39	0.37	0.40	0.4	0.46	0.31	0.3	0.31	0.31	0.33	31
983	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:182-399,kernel_inner.h:201-893,kernel_outer.h:581-581,impl_x86_avx_512_util_float.h:95-371	nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	0.57	0.56	0.58	0.58	0.6	0.51	0.48	0.53	0.53	0.6	0.31	0.3	0.31	0.31	0.32	31
1497	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:182-389,kernel_prune.cpp:109-151,impl_x86_avx_512_util_float.h:371-371	nbnxn_kernel_prune_2xnn(NbnxnPairlistCpu, nbnxn_atomdata_t const, gmx::ArrayRef const>, float)	Innermost	0.52	0.49	0.52	0.52	0.54	0.36	0.32	0.35	0.35	0.43	0.28	0.27	0.28	0.28	0.29	31
19336	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:104-203,update.cpp:481-481,impl_x86_avx_512_util_float.h:317-321	std::enable_if::value\|\|std::is_same::value, void>::type _INTERNAL568e5334::updateMDLeapfrogSimpleSimd<(StoreUpdatedVelocities)0, float [3]>(int, int, float, gmx::ArrayRef, gmx::ArrayRef, float const () [3], float () [3], float () [3], float const () [3])	Single	0.51	0.42	0.49	0.48	0.61	0.37	0.31	0.35	0.34	0.44	0.27	0.24	0.26	0.26	0.33	31
1597	libgromacs_mpi.so.7 - stl_vector.h:1256-1256,atomdata.cpp:1207-1211,arrayref.h:82-82,array:61-61,bitmask.h:152-154	L__ZN17_INTERNALa817b2b737nbnxn_atomdata_add_nbat_f_to_f_reduceEP16nbnxn_atomdata_ti_1188__par_region0_2_51	Innermost	0.5	0.48	0.53	0.53	0.58	0.38	0.33	0.38	0.38	0.42	0.27	0.27	0.29	0.28	0.31	31
2693	libgromacs_mpi.so.7 - impl_x86_avx_512_simd4_float.h:78-200,impl_x86_avx_512_simd_float.h:104-394,grid.h:239-239,pairlist.cpp:152-216,pairlist_simd_2xmm.h:130-176,impl_x86_avx_512_util_float.h:371-371	_INTERNALb293ce76::makeClusterListSimd2xnn(Nbnxm::Grid const&, NbnxnPairlistCpu, int, int, int, bool, float const, float, float, int*)	Single	0.38	0.36	0.38	0.38	0.4	0.27	0.24	0.26	0.26	0.31	0.2	0.19	0.20	0.2	0.21	31
2125	libgromacs_mpi.so.7 - iterator_interface.hpp:166-459,arrayref.h:85-85,bitmask.h:162-162,kernel_common.cpp:54-76	void _INTERNALecfc3c36::clearBufferFlagged<3>(nbnxn_atomdata_t const&, int, gmx::ArrayRef)	Outermost	0.35	0.32	0.33	0.33	0.35	0.25	0.23	0.25	0.24	0.29	0.19	0.17	0.18	0.18	0.19	31
19339	libgromacs_mpi.so.7 - update.cpp:1638-1641	L__ZN3gmx6Update4Impl13finish_updateERK10t_inputrecbiNS_8ArrayRefIKtEEP7t_stateP13gmx_wallcycleb_1637__par_region0_2_148	Single	0.33	0.31	0.33	0.33	0.35	0.25	0.22	0.25	0.25	0.29	0.18	0.17	0.18	0.18	0.19	31
18662	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:104-452,lincs.cpp:798-828,impl_x86_avx_512_util_float.h:106-153	_INTERNAL1bba7552::gmx::__regcall3__calc_dr_x_xp_simd(int, int, _INTERNAL1bba7552::gmx::ArrayRef<_INTERNAL1bba7552::gmx::AtomPair const>, float const () [3], float const () [3], float const, float const, float const, float () [3], float, float)	Single	0.32	0.3	0.33	0.32	0.34	0.28	0.23	0.28	0.28	0.34	0.17	0.17	0.17	0.17	0.18	31
21183	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:182-452,pairs.cpp:863-935,impl_x86_avx_512_util_float.h:114-114	void _INTERNAL5738f0d5::do_pairs_simple(int, int const, t_iparams const, float const () [3], float () [4], float const*, gmx::ArrayRef, float)	Single	0.31	0.28	0.30	0.3	0.32	0.23	0.19	0.22	0.22	0.25	0.16	0.15	0.16	0.16	0.17	31
1580	libgromacs_mpi.so.7 - atomdata.cpp:226-236	copy_rvec_to_nbat_real(int const, int, int, float const () [3], int, float*, int)	Single	0.31	0.27	0.30	0.29	0.33	0.41	0.31	0.38	0.38	0.49	0.16	0.14	0.16	0.16	0.17	31
21721	libgromacs_mpi.so.7 - stl_vector.h:1124-1124,pme_spread.cpp:172-174	_INTERNALae0e43be::calc_interpolation_idx(gmx_pme_t const, PmeAtomComm, int, int, int, int)	Single	0.26	0.24	0.26	0.26	0.27	0.21	0.18	0.20	0.2	0.23	0.14	0.13	0.14	0.14	0.15	31
18646	libgromacs_mpi.so.7 - arrayref.h:82-82,lincs.cpp:1087-1089	_INTERNAL1bba7552::gmx::do_lincs(_INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector const>, _INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector >, float const () [3], t_pbc, _INTERNAL1bba7552::gmx::Lincs, int, _INTERNAL1bba7552::gmx::ArrayRef, t_commrec const, bool, float, bool, float, _INTERNAL1bba7552::gmx::ArrayRef<_INTERNAL1bba7552::gmx::BasicVector >, bool, float () [3])	Innermost	0.26	0.25	0.26	0.26	0.28	0.21	0.21	0.24	0.23	0.3	0.14	0.13	0.14	0.14	0.15	31
20843	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:104-409,simd_math.h:1439-1439,bonded.cpp:1151-1255,impl_x86_avx_512_util_float.h:137-137	std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNALc075c6e4::(anonymous namespace)::angles<(BondedKernelFlavor)0>(int, int const, t_iparams const, float const () [3], float () [4], float () [3], t_pbc const, float, float, gmx::ArrayRef, t_fcdata, t_disresdata, t_oriresdata, int*)	Single	0.24	0.21	0.22	0.23	0.24	0.22	0.17	0.20	0.2	0.27	0.13	0.11	0.12	0.12	0.13	31
2671	libgromacs_mpi.so.7 - grid.h:251-251,stl_vector.h:988-1143,pairlist.cpp:2966-3474,arrayref.h:263-263	void _INTERNALb293ce76::nbnxn_make_pairlist_part(Nbnxm::GridSet const&, Nbnxm::Grid const&, Nbnxm::Grid const&, PairsearchWork, nbnxn_atomdata_t const, gmx::ListOfLists const&, float, PairlistType, int, bool, int, bool, float, int, int, NbnxnPairlistCpu, t_nblist)	InBetween	0.24	0.22	0.23	0.23	0.25	0.18	0.16	0.18	0.18	0.2	0.13	0.12	0.12	0.12	0.13	31
1588	libgromacs_mpi.so.7 - atomdata.cpp:1173-1179,atomdata.h:102-102	_INTERNALa817b2b7::nbnxn_atomdata_add_nbat_f_to_f_part(Nbnxm::GridSet const&, nbnxn_atomdata_t const&, nbnxn_atomdata_output_t const&, int, int, float (*) [3])	Single	0.2	0.18	0.19	0.19	0.21	0.15	0.14	0.16	0.15	0.2	0.11	0.1	0.10	0.1	0.11	31
2672	libgromacs_mpi.so.7 - pairlist.cpp:3407-3411,arrayref.h:263-263	void _INTERNALb293ce76::nbnxn_make_pairlist_part(Nbnxm::GridSet const&, Nbnxm::Grid const&, Nbnxm::Grid const&, PairsearchWork, nbnxn_atomdata_t const, gmx::ListOfLists const&, float, PairlistType, int, bool, int, bool, float, int, int, NbnxnPairlistCpu, t_nblist)	Innermost	0.2	0.19	0.21	0.21	0.22	0.14	0.14	0.16	0.16	0.18	0.11	0.1	0.11	0.11	0.12	31
5130	libgromacs_mpi.so.7 - vec.h:141-143,threaded_force_buffer.cpp:209-211	L__ZN17_INTERNALd056bbd43gmx12_GLOBAL__N_124reduceThreadForceBuffersIA4_fEEvNS0_8ArrayRefINS0_11BasicVectorIfEEEENS4_ISt10unique_ptrINS0_17ThreadForceBufferIT_EESt14default_deleteISB_EEEENS4_IKSt5arrayImLm2EEEENS4_IKiEE_170__par_region0_2_127	Innermost	0.2	0.18	0.19	0.19	0.21	0.18	0.15	0.18	0.18	0.22	0.11	0.1	0.10	0.1	0.11	31
21715	libgromacs_mpi.so.7 - stl_vector.h:1124-1143,pme_spread.cpp:197-199	L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_1010__par_region4_2_4	Innermost	0.19	0.18	0.20	0.2	0.21	0.15	0.14	0.17	0.16	0.2	0.1	0.1	0.11	0.11	0.11	31
21179	libgromacs_mpi.so.7 - vec.h:141-634,iterator_interface.hpp:166-459,tuple:236-236,functions.h:164-164,stl_vector.h:1256-1256,pairs.cpp:125-824	float _INTERNAL5738f0d5::do_pairs_general<(BondedKernelFlavor)2>(int, int, int const, t_iparams const, float const () [3], float () [4], float () [3], t_pbc const, float const, float, gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef, int, t_forcerec const, gmx_grppairener_t, int*)	Single	0.17	0.16	0.17	0.17	0.18	0.17	0.11	0.14	0.14	0.17	0.09	0.08	0.09	0.09	0.1	31
20856	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:104-208,bonded.cpp:2059-2126	std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNALc075c6e4::(anonymous namespace)::pdihs<(BondedKernelFlavor)0>(int, int const, t_iparams const, float const () [3], float () [4], float () [3], t_pbc const, float, float, gmx::ArrayRef, t_fcdata, t_disresdata, t_oriresdata, int*)	Single	0.16	0.16	0.16	0.16	0.17	0.14	0.12	0.14	0.14	0.17	0.09	0.08	0.09	0.09	0.09	31
20945	libgromacs_mpi.so.7 - vec.h:115-335,functions.h:164-164,cmath:426-426,bonded.cpp:129-2014	std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))\|\|(!(1)), float>::type _INTERNALc075c6e4::(anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const, t_iparams const, float const () [3], float () [4], float () [3], t_pbc const, float, float, gmx::ArrayRef, t_fcdata, t_disresdata, t_oriresdata, int*)	Outermost	0.15	0.13	0.15	0.15	0.16	0.13	0.11	0.14	0.14	0.16	0.08	0.07	0.08	0.08	0.09	31
18657	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:104-452,lincs.cpp:919-930,impl_x86_avx_512_util_float.h:114-114	_INTERNAL1bba7552::gmx::__regcall3__calc_dist_iter_simd(int, int, _INTERNAL1bba7552::gmx::ArrayRef<_INTERNAL1bba7552::gmx::AtomPair const>, float const () [3], float const, float const, float const, float, float, float, bool*)	Single	0.15	0.13	0.14	0.14	0.15	0.16	0.13	0.16	0.16	0.19	0.08	0.07	0.08	0.08	0.08	31
5127	libgromacs_mpi.so.7 - tuple:236-236,stl_vector.h:1256-1256,array:61-61,bitmask.h:154-154,threaded_force_buffer.cpp:182-187	L__ZN17_INTERNALd056bbd43gmx12_GLOBAL__N_124reduceThreadForceBuffersIA4_fEEvNS0_8ArrayRefINS0_11BasicVectorIfEEEENS4_ISt10unique_ptrINS0_17ThreadForceBufferIT_EESt14default_deleteISB_EEEENS4_IKSt5arrayImLm2EEEENS4_IKiEE_170__par_region0_2_127	Innermost	0.14	0.13	0.14	0.14	0.15	0.1	0.1	0.12	0.12	0.15	0.08	0.07	0.07	0.07	0.08	31
5129	libgromacs_mpi.so.7 - vec.h:141-147,threaded_force_buffer.cpp:207-211	L__ZN17_INTERNALd056bbd43gmx12_GLOBAL__N_124reduceThreadForceBuffersIA4_fEEvNS0_8ArrayRefINS0_11BasicVectorIfEEEENS4_ISt10unique_ptrINS0_17ThreadForceBufferIT_EESt14default_deleteISB_EEEENS4_IKSt5arrayImLm2EEEENS4_IKiEE_170__par_region0_2_127	InBetween	0.14	0.12	0.14	0.14	0.15	0.11	0.1	0.12	0.12	0.16	0.07	0.07	0.08	0.08	0.08	31
21806	libgromacs_mpi.so.7 - fft5d.cpp:835-886	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	InBetween	0.13	0.12	0.13	0.13	0.14	0.14	0.09	0.12	0.11	0.15	0.07	0.07	0.07	0.07	0.07	31
995	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:182-462,stl_vector.h:1143-1143,kernel_inner.h:201-893,kernel_outer.h:541-544,impl_x86_avx_512_util_float.h:95-371	nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	0.12	0.11	0.12	0.12	0.13	0.11	0.09	0.12	0.12	0.14	0.07	0.06	0.06	0.06	0.07	31
19100	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:182-389,settle.cpp:423-649	void _INTERNAL4f3e572d::gmx::settleTemplate<_INTERNAL4f3e572d::gmx::SimdFloat, _INTERNAL4f3e572d::gmx::SimdFBool, 16, float const, true, false>(_INTERNAL4f3e572d::gmx::SettleData const&, int, int, float const, float const, float, float, float, float () [3], bool*)	Single	0.12	0.11	0.12	0.12	0.13	0.09	0.09	0.11	0.1	0.13	0.06	0.06	0.07	0.07	0.07	31
21637	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:104-230,pme_solve.cpp:98-561,simd_memory.h:174-174	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Outermost	0.11	0.1	0.13	0.11	0.69	0.1	0.08	0.11	0.1	0.49	0.06	0.05	0.07	0.06	0.37	31
993	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:182-462,stl_vector.h:1143-1143,kernel_inner.h:201-893,kernel_outer.h:559-562,impl_x86_avx_512_util_float.h:95-371	nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	0.11	0.09	0.10	0.1	0.11	0.17	0.12	0.15	0.15	0.2	0.06	0.05	0.05	0.05	0.06	31
1596	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:182-182,atomdata.cpp:1109-1221	L__ZN17_INTERNALa817b2b737nbnxn_atomdata_add_nbat_f_to_f_reduceEP16nbnxn_atomdata_ti_1188__par_region0_2_51	Innermost	0.11	0.11	0.12	0.11	0.14	0.59	0.48	0.56	0.56	0.72	0.06	0.06	0.06	0.06	0.07	31
18774	libgromacs_mpi.so.7 - vec.h:335-335,md_support.cpp:139-157,vectypes.h:122-224	L__ZN17_INTERNAL727fa8dd19calc_ke_part_normalEN3gmx8ArrayRefIKNS0_11BasicVectorIfEEEEPK9t_grpoptsPK9t_mdatomsP14gmx_ekindata_tP6t_nrnbb_113__par_region0_2_11	Innermost	0.11	0.1	0.10	0.1	0.11	0.08	0.08	0.09	0.09	0.11	0.06	0.05	0.06	0.06	0.06	31
2692	libgromacs_mpi.so.7 - impl_x86_avx_512_simd4_float.h:78-200,impl_x86_avx_512_simd_float.h:104-394,grid.h:239-239,pairlist.cpp:152-216,arrayref.h:82-82,pairlist_simd_2xmm.h:185-231,impl_x86_avx_512_util_float.h:371-371	_INTERNALb293ce76::makeClusterListSimd2xnn(Nbnxm::Grid const&, NbnxnPairlistCpu, int, int, int, bool, float const, float, float, int*)	Single	0.1	0.09	0.10	0.11	0.11	0.08	0.08	0.09	0.09	0.12	0.06	0.05	0.06	0.06	0.06	31
989	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:58-462,stl_vector.h:1143-1143,kernel_inner.h:201-893,stl_iterator.h:1107-1240,kernel_outer.h:335-612,impl_x86_avx_512_util_float.h:95-473	nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Outermost	0.1	0.09	0.10	0.1	0.11	0.13	0.08	0.11	0.11	0.15	0.05	0.05	0.06	0.06	0.06	31
21740	libgromacs_mpi.so.7 - pme_spread.cpp:524-641	_INTERNALae0e43be::reduce_threadgrid_overlap(gmx_pme_t const, pmegrids_t const, int, float, float, float*, int)	InBetween	0.1	0.08	0.09	0.09	0.1	0.09	0.08	0.10	0.1	0.14	0.05	0.04	0.05	0.05	0.06	31
19165	libgromacs_mpi.so.7 - vec.h:292-294,sim_util.cpp:473-473	L__ZN17_INTERNALc686538717setupForceOutputsEP18ForceHelperBuffersN3gmx19ArrayRefWithPaddingINS2_11BasicVectorIfEEEERKNS2_22DomainLifetimeWorkloadERKNS2_12StepWorkloadEbP13gmx_wallcycle_473__par_region0_2_126	Single	0.09	0.08	0.10	0.1	0.11	0.09	0.07	0.09	0.09	0.14	0.05	0.05	0.05	0.05	0.06	31
20932	libgromacs_mpi.so.7 - vec.h:141-335,functions.h:164-321,bonded.cpp:445-1084	std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))\|\|(!(1)), float>::type _INTERNALc075c6e4::(anonymous namespace)::angles<(BondedKernelFlavor)2>(int, int const, t_iparams const, float const () [3], float () [4], float () [3], t_pbc const, float, float, gmx::ArrayRef, t_fcdata, t_disresdata, t_oriresdata, int*)	Single	0.09	0.08	0.09	0.09	0.1	0.07	0.07	0.09	0.09	0.12	0.05	0.04	0.05	0.05	0.05	31
984	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:182-462,stl_vector.h:1143-1143,kernel_inner.h:201-893,kernel_outer.h:575-578,impl_x86_avx_512_util_float.h:95-371	nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	0.08	0.07	0.08	0.08	0.09	0.11	0.07	0.09	0.09	0.12	0.04	0.04	0.04	0.04	0.05	31
990	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:182-399,kernel_inner.h:201-893,kernel_outer.h:581-581,impl_x86_avx_512_util_float.h:95-371	nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	0.08	0.07	0.08	0.08	0.09	0.09	0.08	0.10	0.1	0.12	0.04	0.04	0.04	0.04	0.05	31
1593	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:104-182,atomdata.cpp:1119-1221	L__ZN17_INTERNALa817b2b737nbnxn_atomdata_add_nbat_f_to_f_reduceEP16nbnxn_atomdata_ti_1188__par_region0_2_51	InBetween	0.08	0.06	0.08	0.08	0.1	0.12	0.08	0.11	0.11	0.15	0.04	0.03	0.04	0.04	0.05	31
21714	libgromacs_mpi.so.7 - stl_vector.h:1124-1143,pme_spread.cpp:188-199	L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_1010__par_region4_2_4	InBetween	0.08	0.07	0.08	0.08	0.08	0.12	0.06	0.09	0.09	0.12	0.04	0.04	0.04	0.04	0.04	31
19308	libgromacs_mpi.so.7 - arrayref.h:82-82,update.cpp:361-387	_INTERNAL568e5334::do_update_md(int, int, float, long, float const () [3], float () [3], float () [3], float const () [3], TemperatureCoupling, PressureCoupling, int, int, gmx::ArrayRef, bool, gmx::ArrayRef, float const () [3], gmx::ArrayRef, gmx::ArrayRef, gmx_ekindata_t const, float const () [3], double const, float const (*) [3], bool)	Single	0.07	0.06	0.07	0.07	0.09	0.07	0.06	0.07	0.07	0.1	0.04	0.03	0.04	0.04	0.05	31
21813	libgromacs_mpi.so.7 - fft5d.cpp:899-1382	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	InBetween	0.07	0.06	0.07	0.07	0.07	0.08	0.06	0.07	0.07	0.08	0.04	0.03	0.04	0.04	0.04	31
21713	libgromacs_mpi.so.7 - pme_spread.cpp:441-445	L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_1010__par_region4_2_4	Innermost	0.07	0.06	0.07	0.07	0.08	0.06	0.06	0.07	0.07	0.09	0.04	0.03	0.04	0.04	0.04	31
21711	libgromacs_mpi.so.7 - pme_spread.cpp:438-447	L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_1010__par_region4_2_4	InBetween	0.07	0.05	0.06	0.06	0.07	0.07	0.05	0.07	0.07	0.11	0.04	0.03	0.03	0.03	0.04	31
21465	libgromacs_mpi.so.7 - pme_grid.cpp:537-539	unwrap_periodic_pmegrid(gmx_pme_t, float)	Innermost	0.07	0.06	0.07	0.07	0.08	0.09	0.06	0.08	0.08	0.1	0.04	0.03	0.04	0.04	0.04	31
128	gmx_mpi -	__intel_skx_avx512_memset	Single	0.06	0.06	0.07	0.07	0.07	0.13	0.08	0.12	0.11	0.18	0.03	0.03	0.03	0.03	0.04	31
3697	libgromacs_mpi.so.7 - vector.tcc:452-695,stl_algobase.h:920-1148,stl_vector.h:378-1934,stl_iterator.h:1333-1333,arrayref.h:82-82,new_allocator.h:120-175,idef.h:231-235,stl_uninitialized.h:655-1117,array:61-61,hashedmap.h:274-282,ga2la.h:112-126,stl_construct.h:119-119,mtop_lookup.h:87-118,domdec_constraints.cpp:234-282	_INTERNAL051658ea::atoms_to_settles(gmx_domdec_t, gmx_mtop_t const&, gmx::ArrayRef, gmx::ArrayRef > const>, int, int, InteractionList, std::vector >*)	Outermost	0.06	0.05	0.05	0.05	0.06	0.07	0.05	0.07	0.07	0.09	0.03	0.03	0.03	0.03	0.03	31
2691	libgromacs_mpi.so.7 - grid.h:239-239,stl_vector.h:988-1287,pairlist.cpp:152-935,new_allocator.h:175-175,pairlist_simd_2xmm.h:237-242	_INTERNALb293ce76::makeClusterListSimd2xnn(Nbnxm::Grid const&, NbnxnPairlistCpu, int, int, int, bool, float const, float, float, int*)	Single	0.05	0.04	0.05	0.05	0.05	0.05	0.04	0.05	0.05	0.07	0.03	0.02	0.03	0.03	0.03	31
2703	libgromacs_mpi.so.7 - iterator_interface.hpp:459-459,pairlist.cpp:607-1420,arrayref.h:82-85	_INTERNALb293ce76::setExclusionsForIEntry(Nbnxm::GridSet const&, NbnxnPairlistCpu*, bool, int, nbnxn_ci_t const&, gmx::ListOfLists const&)	InBetween	0.05	0.04	0.05	0.05	0.06	0.05	0.05	0.06	0.06	0.08	0.03	0.02	0.03	0.03	0.03	31
21659	libgromacs_mpi.so.7 - pme_solve.cpp:457-470	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Innermost	0.05	0.04	0.05	0.05	0.18	0.04	0.04	0.05	0.05	0.13	0.03	0.02	0.03	0.02	0.1	31
21464	libgromacs_mpi.so.7 - pme_grid.cpp:496-539	unwrap_periodic_pmegrid(gmx_pme_t, float)	InBetween	0.05	0.04	0.05	0.05	0.05	0.05	0.04	0.06	0.05	0.08	0.02	0.02	0.02	0.02	0.03	31
5253	libgromacs_mpi.so.7 - stl_algobase.h:921-922,stl_vector.h:869-869,stl_iterator.h:1072-1144,threaded_force_buffer.cpp:78-80	gmx::ThreadForceBuffer::clearForcesAndEnergies()	Outermost	0.04	0.04	0.04	0.04	0.04	0.07	0.05	0.07	0.07	0.1	0.02	0.02	0.02	0.02	0.02	31
21808	libgromacs_mpi.so.7 - fft5d.cpp:884-886	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	Innermost	0.04	0.03	0.04	0.04	0.05	0.09	0.05	0.08	0.07	0.12	0.02	0.02	0.02	0.02	0.02	31
21437	libgromacs_mpi.so.7 - pme_grid.cpp:395-404	copy_fftgrid_to_pmegrid(gmx_pme_t, float const, float*, int, int, int)	Innermost	0.04	0.03	0.04	0.04	0.05	0.05	0.04	0.05	0.05	0.06	0.02	0.02	0.02	0.02	0.02	31
1591	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:104-182,stl_vector.h:988-1256,atomdata.cpp:1053-1221,arrayref.h:72-263,array:61-61,bitmask.h:152-154	L__ZN17_INTERNALa817b2b737nbnxn_atomdata_add_nbat_f_to_f_reduceEP16nbnxn_atomdata_ti_1188__par_region0_2_51	InBetween	0.04	0.04	0.05	0.05	0.05	0.05	0.04	0.05	0.05	0.07	0.02	0.02	0.02	0.02	0.03	31
21660	libgromacs_mpi.so.7 - pme_solve.cpp:441-454	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Innermost	0.04	0.03	0.04	0.04	0.09	0.04	0.04	0.05	0.05	0.08	0.02	0.02	0.02	0.02	0.05	31
21643	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:104-230,pme_solve.cpp:234-238	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Innermost	0.04	0.04	0.04	0.04	0.05	0.04	0.04	0.05	0.05	0.06	0.02	0.02	0.02	0.02	0.02	31
21712	libgromacs_mpi.so.7 - pme_spread.cpp:441-445	L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_1010__par_region4_2_4	Innermost	0.04	0.03	0.04	0.04	0.04	0.05	0.03	0.04	0.04	0.06	0.02	0.02	0.02	0.02	0.02	31
21128	libgromacs_mpi.so.7 - stl_vector.h:988-988,manage_threading.cpp:127-170	_INTERNAL6f8e2c7b::divide_bondeds_over_threads(bonded_threading_t*, bool, InteractionDefinitions const&)	InBetween	0.04	0.04	0.04	0.04	0.04	1.01	0.94	1.02	1.01	1.11	0.02	0.02	0.02	0.02	0.02	31
17904	libgromacs_mpi.so.7 - ishift.h:72-72,calcvir.cpp:61-81	_Z8calc_viriPA3_KfS1_PA3_fbS1#omp_region_0	Innermost	0.04	0.03	0.03	0.03	0.04	0.04	0.03	0.04	0.04	0.06	0.02	0.01	0.02	0.02	0.02	31
19168	libgromacs_mpi.so.7 - vec.h:141-147,sim_util.cpp:150-150	_INTERNALc6865387::postProcessForces(t_commrec const, long, t_nrnb, gmx_wallcycle, float const () [3], gmx::ArrayRef const>, gmx::ForceOutputs, float () [3], t_mdatoms const, t_forcerec const, gmx::VirtualSitesHandler*, gmx::StepWorkload const&)	Single	0.03	0.03	0.03	0.03	0.04	0.04	0.03	0.04	0.04	0.06	0.02	0.01	0.02	0.02	0.02	31
2673	libgromacs_mpi.so.7 - pairlist.cpp:3392-3396,arrayref.h:263-263	void _INTERNALb293ce76::nbnxn_make_pairlist_part(Nbnxm::GridSet const&, Nbnxm::Grid const&, Nbnxm::Grid const&, PairsearchWork, nbnxn_atomdata_t const, gmx::ListOfLists const&, float, PairlistType, int, bool, int, bool, float, int, int, NbnxnPairlistCpu, t_nblist)	Innermost	0.03	0.03	0.04	0.04	0.04	0.05	0.03	0.04	0.04	0.06	0.02	0.02	0.02	0.02	0.02	31
18643	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:104-198,lincs.cpp:1155-1155	_INTERNAL1bba7552::gmx::do_lincs(_INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector const>, _INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector >, float const () [3], t_pbc, _INTERNAL1bba7552::gmx::Lincs, int, _INTERNAL1bba7552::gmx::ArrayRef, t_commrec const, bool, float, bool, float, _INTERNAL1bba7552::gmx::ArrayRef<_INTERNAL1bba7552::gmx::BasicVector >, bool, float () [3])	Innermost	0.03	0.02	0.03	0.03	0.04	0.04	0.03	0.05	0.05	0.06	0.02	0.01	0.02	0.02	0.02	31
3911	libgromacs_mpi.so.7 - iterator_interface.hpp:459-459,stl_vector.h:1143-1287,arrayref.h:85-85,new_allocator.h:175-175,hashedmap.h:274-282,ga2la.h:112-118,localtopology.cpp:748-753	void _INTERNAL80d859f8::make_exclusions_zone(gmx::ArrayRef, gmx_ga2la_t const&, gmx_domdec_zones_t const&, gmx::ArrayRef, std::vector > const&, gmx::ArrayRef, gmx::ListOfLists*, int, int, int, gmx::ArrayRef)	InBetween	0.03	0.02	0.03	0.03	0.03	0.04	0.03	0.04	0.04	0.05	0.02	0.01	0.02	0.02	0.02	31
3941	libgromacs_mpi.so.7 - vector.tcc:629-695,stl_algobase.h:920-1148,stl_vector.h:378-1934,arrayref.h:72-318,new_allocator.h:120-158,idef.h:243-247,stl_uninitialized.h:657-1117,array:61-61,hashedmap.h:274-282,ga2la.h:112-118,stl_construct.h:119-119,localtopology.cpp:416-576	int _INTERNAL80d859f8::assignInteractionsForAtom(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 const>, InteractionDefinitions*, int, gmx::DDBondedChecking)	Outermost	0.03	0.03	0.03	0.03	0.03	0.05	0.04	0.05	0.05	0.07	0.02	0.01	0.02	0.02	0.02	31
2821	libgromacs_mpi.so.7 - vector.tcc:452-517,stl_vector.h:378-1919,stl_iterator.h:1072-1728,pairlist.cpp:3624-3624,new_allocator.h:120-175,stl_uninitialized.h:347-351	void _INTERNALb293ce76::copySelectedListRange(nbnxn_ci_t const, NbnxnPairlistCpu const, NbnxnPairlistCpu, std::array, int, int, int)	InBetween	0.03	0.02	0.03	0.03	0.03	0.04	0.03	0.04	0.04	0.07	0.02	0.01	0.01	0.01	0.02	31
17834	libgromacs_mpi.so.7 - functions.h:321-321,cmath:223-1325,stl_vector.h:1143-1143,arrayref.h:82-85,std_abs.h:76-76,calc_verletbuf.cpp:530-721	_INTERNALc226143a::energyDrift(gmx::ArrayRef, gmx_ffparams_t const, float, pot_derivatives_t const, pot_derivatives_t const, pot_derivatives_t const, float, float, float, float)	Innermost	0.03	0.03	0.03	0.03	0.03	0.75	0.71	0.78	0.77	0.83	0.01	0.01	0.02	0.02	0.02	31
2680	libgromacs_mpi.so.7 - stl_vector.h:1124-1124,pairlist.cpp:1981-1985	_INTERNALb293ce76::closeIEntry(NbnxnPairlistCpu*, int, bool, float, int, int)	Single	0.02	0.02	0.03	0.03	0.03	0.03	0.03	0.04	0.03	0.05	0.01	0.01	0.01	0.01	0.02	31
2704	libgromacs_mpi.so.7 - pairlist.cpp:607-1332	_INTERNALb293ce76::setExclusionsForIEntry(Nbnxm::GridSet const&, NbnxnPairlistCpu*, bool, int, nbnxn_ci_t const&, gmx::ListOfLists const&)	Innermost	0.02	0.02	0.02	0.02	0.02	0.04	0.02	0.03	0.04	0.05	0.01	0.01	0.01	0.01	0.01	31
21639	libgromacs_mpi.so.7 - pme_solve.cpp:555-561	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Innermost	0.02	0.02	0.02	0.02	0.03	0.04	0.02	0.03	0.03	0.04	0.01	0.01	0.01	0.01	0.01	31
18780	libgromacs_mpi.so.7 - iterator_interface.hpp:459-459,cmath:464-1269,stl_vector.h:988-1143,mtop_lookup.h:87-159,mdatoms.cpp:328-497	atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef, int, gmx::MDAtoms*)	InBetween	0.02	0.02	0.02	0.02	0.03	0.03	0.02	0.03	0.04	0.04	0.01	0.01	0.01	0.01	0.02	31
20860	libgromacs_mpi.so.7 - vec.h:141-335,functions.h:164-164,bonded.cpp:1822-2327	float _INTERNALc075c6e4::(anonymous namespace)::idihs<(BondedKernelFlavor)0>(int, int const, t_iparams const, float const () [3], float () [4], float () [3], t_pbc const, float, float, gmx::ArrayRef, t_fcdata, t_disresdata, t_oriresdata, int*)	Single	0.02	0.01	0.02	0.02	0.02	0.06	0.05	0.07	0.06	0.09	0.01	0.01	0.01	0.01	0.01	31
2681	libgromacs_mpi.so.7 - stl_vector.h:1124-1124,pairlist.cpp:1991-1995	_INTERNALb293ce76::closeIEntry(NbnxnPairlistCpu*, int, bool, float, int, int)	Single	0.02	0.01	0.02	0.02	0.02	0.02	0.02	0.03	0.03	0.04	0.01	0.01	0.01	0.01	0.01	31
19099	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:104-389,settle.cpp:423-674	void _INTERNAL4f3e572d::gmx::settleTemplate<_INTERNAL4f3e572d::gmx::SimdFloat, _INTERNAL4f3e572d::gmx::SimdFBool, 16, float const, true, true>(_INTERNAL4f3e572d::gmx::SettleData const&, int, int, float const, float const, float, float, float, float () [3], bool*)	Outermost	0.02	0.01	0.02	0.02	0.02	0.02	0.02	0.03	0.03	0.04	0.01	0.01	0.01	0.01	0.01	31
18645	libgromacs_mpi.so.7 - arrayref.h:82-82,lincs.cpp:1085-1089	_INTERNAL1bba7552::gmx::do_lincs(_INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector const>, _INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector >, float const () [3], t_pbc, _INTERNAL1bba7552::gmx::Lincs, int, _INTERNAL1bba7552::gmx::ArrayRef, t_commrec const, bool, float, bool, float, _INTERNAL1bba7552::gmx::ArrayRef<_INTERNAL1bba7552::gmx::BasicVector >, bool, float () [3])	Outermost	0.02	0.02	0.02	0.02	0.02	0.03	0.02	0.03	0.03	0.04	0.01	0.01	0.01	0.01	0.01	31
20947	libgromacs_mpi.so.7 - vec.h:115-335,functions.h:164-164,cmath:185-185,bonded.cpp:129-3032	std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))\|\|(!(1)), float>::type _INTERNALc075c6e4::(anonymous namespace)::rbdihs<(BondedKernelFlavor)2>(int, int const, t_iparams const, float const () [3], float () [4], float () [3], t_pbc const, float, float, gmx::ArrayRef, t_fcdata, t_disresdata, t_oriresdata, int*)	Single	0.02	0.01	0.02	0.02	0.02	0.05	0.04	0.06	0.06	0.09	0.01	0.01	0.01	0.01	0.01	31
3907	libgromacs_mpi.so.7 - vector.tcc:114-123,iterator_interface.hpp:166-459,stl_vector.h:889-1934,stl_iterator.h:1144-1144,arrayref.h:85-180,new_allocator.h:175-175,hashedmap.h:274-282,ga2la.h:112-118,localtopology.cpp:731-787,listoflists.h:127-146	void _INTERNAL80d859f8::make_exclusions_zone(gmx::ArrayRef, gmx_ga2la_t const&, gmx_domdec_zones_t const&, gmx::ArrayRef, std::vector > const&, gmx::ArrayRef, gmx::ListOfLists*, int, int, int, gmx::ArrayRef)	InBetween	0.02	0.01	0.02	0.02	0.02	0.02	0.02	0.03	0.03	0.04	0.01	0.01	0.01	0.01	0.01	31
2670	libgromacs_mpi.so.7 - grid.h:251-251,stl_vector.h:988-1143,pairlist.cpp:2966-3474,arrayref.h:263-263	void _INTERNALb293ce76::nbnxn_make_pairlist_part(Nbnxm::GridSet const&, Nbnxm::Grid const&, Nbnxm::Grid const&, PairsearchWork, nbnxn_atomdata_t const, gmx::ListOfLists const&, float, PairlistType, int, bool, int, bool, float, int, int, NbnxnPairlistCpu, t_nblist)	InBetween	0.02	0.01	0.02	0.02	0.02	0.02	0.02	0.03	0.03	0.04	0.01	0.01	0.01	0.01	0.01	31
21650	libgromacs_mpi.so.7 - pme_solve.cpp:499-511	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Innermost	0.02	0.02	0.02	0.02	0.02	0.02	0.02	0.03	0.03	0.04	0.01	0.01	0.01	0.01	0.01	31
20857	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:187-203,bonded.cpp:2179-2256	std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNALc075c6e4::(anonymous namespace)::rbdihs<(BondedKernelFlavor)0>(int, int const, t_iparams const, float const () [3], float () [4], float () [3], t_pbc const, float, float, gmx::ArrayRef, t_fcdata, t_disresdata, t_oriresdata, int*)	Single	0.02	0.02	0.02	0.02	0.02	0.06	0.03	0.07	0.06	0.1	0.01	0.01	0.01	0.01	0.01	31
21783	libgromacs_mpi.so.7 - fft.cpp:115-123	gmx_fft_many_1d(gmx_fft, gmx_fft_direction, void, void*)	Single	0.02	0.01	0.02	0.02	0.02	0.03	0.02	0.03	0.03	0.04	0.01	0.01	0.01	0.01	0.01	31
21647	libgromacs_mpi.so.7 - pme_solve.cpp:522-531	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Innermost	0.02	0.01	0.02	0.02	0.13	0.02	0.02	0.03	0.03	0.12	0.01	0.01	0.01	0.01	0.07	31
1496	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:58-389,stl_vector.h:1256-1256,kernel_prune.cpp:76-158,arrayref.h:82-82,impl_x86_avx_512_util_float.h:371-377	nbnxn_kernel_prune_2xnn(NbnxnPairlistCpu, nbnxn_atomdata_t const, gmx::ArrayRef const>, float)	Outermost	0.02	0.02	0.02	0.02	0.02	0.02	0.02	0.03	0.03	0.04	0.01	0.01	0.01	0.01	0.01	31
5128	libgromacs_mpi.so.7 - vec.h:141-147,threaded_force_buffer.cpp:200-200	L__ZN17_INTERNALd056bbd43gmx12_GLOBAL__N_124reduceThreadForceBuffersIA4_fEEvNS0_8ArrayRefINS0_11BasicVectorIfEEEENS4_ISt10unique_ptrINS0_17ThreadForceBufferIT_EESt14default_deleteISB_EEEENS4_IKSt5arrayImLm2EEEENS4_IKiEE_170__par_region0_2_127	Innermost	0.02	0.01	0.01	0.01	0.02	0.05	0.03	0.05	0.05	0.06	0.01	0.01	0.01	0.01	0.01	31
2815	libgromacs_mpi.so.7 - vector.tcc:452-517,stl_algobase.h:922-922,stl_vector.h:378-1919,stl_iterator.h:1072-1728,pairlist.cpp:3624-3635,new_allocator.h:120-175,stl_uninitialized.h:347-351,array:61-61	void _INTERNALb293ce76::copySelectedListRange(nbnxn_ci_t const, NbnxnPairlistCpu const, NbnxnPairlistCpu, std::array, int, int, int)	InBetween	0.02	0.01	0.02	0.02	0.02	0.02	0.02	0.03	0.04	0.05	0.01	0.01	0.01	0.01	0.01	31
2702	libgromacs_mpi.so.7 - iterator_interface.hpp:459-459,pairlist.cpp:607-1420,arrayref.h:82-85,listoflists.h:145-146	_INTERNALb293ce76::setExclusionsForIEntry(Nbnxm::GridSet const&, NbnxnPairlistCpu*, bool, int, nbnxn_ci_t const&, gmx::ListOfLists const&)	Outermost	0.02	0.01	0.02	0.02	0.02	0.02	0.02	0.02	0.02	0.03	0.01	0.01	0.01	0.01	0.01	31
2669	libgromacs_mpi.so.7 - grid.h:251-302,tuple:236-236,stl_vector.h:988-1143,pairlist.cpp:2223-3507,arrayref.h:82-263,gridset.h:165-165,ishift.h:59-59,atomdata.h:261-261,listoflists.h:119-119	void _INTERNALb293ce76::nbnxn_make_pairlist_part(Nbnxm::GridSet const&, Nbnxm::Grid const&, Nbnxm::Grid const&, PairsearchWork, nbnxn_atomdata_t const, gmx::ListOfLists const&, float, PairlistType, int, bool, int, bool, float, int, int, NbnxnPairlistCpu, t_nblist)	InBetween	0.01	0.01	0.02	0.02	0.02	0.02	0.02	0.03	0.03	0.04	0.01	0.01	0.01	0.01	0.01	31
21644	libgromacs_mpi.so.7 - pme_solve.cpp:534-543	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Innermost	0.01	0.01	0.03	0.02	0.44	0.02	0.02	0.03	0.02	0.33	0.01	0.01	0.02	0.01	0.24	31
18682	libgromacs_mpi.so.7 - stl_vector.h:1124-1287,arrayref.h:82-82,new_allocator.h:175-175,lincs.cpp:1652-1658,bitmask.h:162-162	L__ZN17_INTERNAL1bba75523gmx18lincs_thread_setupEPNS0_5LincsEi_1695__par_region2_2_84	Innermost	0.01	0.01	0.01	0.01	0.02	0.02	0.01	0.02	0.02	0.03	0.01	0.01	0.01	0.01	0.01	31
21805	libgromacs_mpi.so.7 - fft5d.cpp:835-886	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	InBetween	0.01	0.01	0.01	0.01	0.02	0.04	0.02	0.05	0.04	0.09	0.01	0	0.01	0.01	0.01	31
19163	libgromacs_mpi.so.7 - vec.h:292-294,sim_util.cpp:473-473	L__ZN17_INTERNALc686538717setupForceOutputsEP18ForceHelperBuffersN3gmx19ArrayRefWithPaddingINS2_11BasicVectorIfEEEERKNS2_22DomainLifetimeWorkloadERKNS2_12StepWorkloadEbP13gmx_wallcycle_473__par_region4_2_128	Single	0.01	0.01	0.01	0.01	0.02	0.03	0.02	0.03	0.02	0.04	0.01	0.01	0.01	0.01	0.01	31
2874	libgromacs_mpi.so.7 - stl_algobase.h:909-910	std::vector, std::allocator > >::_M_fill_insert(__gnu_cxx::__normal_iterator*, std::vector, std::allocator > > >, unsigned long, std::array const&)	Single	0.01	0.01	0.01	0.01	0.02	0.02	0.02	0.03	0.03	0.04	0.01	0.01	0.01	0.01	0.01	31
21794	libgromacs_mpi.so.7 - stl_vector.h:879-1124,stl_iterator.h:1224-1224,wallcycle.h:211-306,cyclecounter.h:182-188,fft5d.cpp:786-1420	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	Outermost	0.01	0.01	0.01	0.01	0.02	0.02	0.02	0.02	0.02	0.04	0.01	0.01	0.01	0.01	0.01	31
18644	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:104-198,lincs.cpp:1098-1098	_INTERNAL1bba7552::gmx::do_lincs(_INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector const>, _INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector >, float const () [3], t_pbc, _INTERNAL1bba7552::gmx::Lincs, int, _INTERNAL1bba7552::gmx::ArrayRef, t_commrec const, bool, float, bool, float, _INTERNAL1bba7552::gmx::ArrayRef<_INTERNAL1bba7552::gmx::BasicVector >, bool, float () [3])	Single	0.01	0.01	0.01	0.01	0.01	0.04	0.01	0.02	0.02	0.04	0.01	0	0.00	0	0.01	31
2682	libgromacs_mpi.so.7 - pairlist.cpp:1998-2000	_INTERNALb293ce76::closeIEntry(NbnxnPairlistCpu*, int, bool, float, int, int)	Single	0.01	0.01	0.01	0.01	0.01	0.02	0.01	0.02	0.02	0.03	0.01	0	0.01	0.01	0.01	31
1579	libgromacs_mpi.so.7 - atomdata.cpp:226-236	copy_rvec_to_nbat_real(int const, int, int, float const () [3], int, float*, int)	Single	0.01	0.01	0.01	0.01	0.01	0.03	0.02	0.02	0.02	0.05	0.01	0	0.01	0.01	0.01	31
20946	libgromacs_mpi.so.7 - cmath:426-426,bonded.cpp:1914-2008	std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))\|\|(!(1)), float>::type _INTERNALc075c6e4::(anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const, t_iparams const, float const () [3], float () [4], float () [3], t_pbc const, float, float, gmx::ArrayRef, t_fcdata, t_disresdata, t_oriresdata, int*)	Innermost	0.01	0.01	0.01	0.01	0.02	0.02	0.02	0.02	0.02	0.04	0.01	0.01	0.01	0.01	0.01	31
2701	libgromacs_mpi.so.7 - stl_algobase.h:922-922,pairlist.cpp:3008-3008,array:61-61	_INTERNALb293ce76::setBufferFlags(NbnxnPairlistCpu const&, int, int, std::array*, int)	Single	0.01	0.01	0.01	0.01	0.02	0.02	0.01	0.02	0.02	0.03	0.01	0.01	0.01	0.01	0.01	31
21121	libgromacs_mpi.so.7 - stl_vector.h:1124-1124,array:61-61,bitmask.h:136-136,threaded_force_buffer.h:110-110,manage_threading.cpp:365-367	setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&)	Innermost	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.02	0.02	0.03	0.01	0	0.01	0.01	0.01	31
5126	libgromacs_mpi.so.7 - vec.h:141-147,tuple:236-236,stl_vector.h:1256-1256,arrayref.h:82-82,array:61-61,bitmask.h:154-154,threaded_force_buffer.cpp:171-211	L__ZN17_INTERNALd056bbd43gmx12_GLOBAL__N_124reduceThreadForceBuffersIA4_fEEvNS0_8ArrayRefINS0_11BasicVectorIfEEEENS4_ISt10unique_ptrINS0_17ThreadForceBufferIT_EESt14default_deleteISB_EEEENS4_IKSt5arrayImLm2EEEENS4_IKiEE_170__par_region0_2_127	Outermost	0.01	0.01	0.01	0.01	0.01	0.02	0.01	0.02	0.02	0.03	0.01	0	0.01	0.01	0.01	31
21103	libgromacs_mpi.so.7 - listed_forces.cpp:419-445,stl_vector.h:879-988,stl_iterator.h:1224-1224,arrayref.h:180-180,utilities.h:56-57	_INTERNAL01945b58::calcBondedForces(InteractionDefinitions const&, bonded_threading_t, float const () [3], t_forcerec const, t_pbc const, float () [3], gmx_enerdata_t, t_nrnb, gmx::ArrayRef, gmx::ArrayRef, t_mdatoms const, t_fcdata, gmx::StepWorkload const&, int)	Innermost	0.01	0.01	0.01	0.01	0.02	0.02	0.01	0.02	0.02	0.04	0.01	0	0.01	0.01	0.01	31
1994	libgromacs_mpi.so.7 - grid.cpp:415-420	_INTERNAL5ce61142::Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef const>, float, float, int, gmx::ArrayRef)	Single	0.01	0.01	0.01	0.01	0.01	0.02	0.02	0.02	0.02	0.04	0.01	0	0.01	0.01	0.01	31
18666	libgromacs_mpi.so.7 - stl_vector.h:1124-1124,lincs.cpp:1255-1324	_INTERNAL1bba7552::gmx::set_lincs_matrix_task(_INTERNAL1bba7552::gmx::Lincs, _INTERNAL1bba7552::gmx::Task, _INTERNAL1bba7552::gmx::ArrayRef, int, int)	InBetween	0.01	0.01	0.01	0.01	0.01	0.02	0.01	0.02	0.02	0.03	0.01	0	0.01	0.01	0.01	31
991	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:182-462,stl_vector.h:1143-1143,kernel_inner.h:201-893,kernel_outer.h:575-578,impl_x86_avx_512_util_float.h:95-371	nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	0.01	0.01	0.01	0.01	0.01	0.02	0.01	0.02	0.02	0.03	0.01	0	0.01	0.01	0.01	31
5287	libgromacs_mpi.so.7 - tuple:236-236,stl_vector.h:1261-1261,array:61-61,bitmask.h:191-191,threaded_force_buffer.cpp:278-280	gmx::ThreadedForceBuffer::setupReduction()	Innermost	0.01	0.01	0.01	0.01	0.02	0.27	0.23	0.31	0.32	0.42	0.01	0	0.01	0.01	0.01	31
3698	libgromacs_mpi.so.7 - stl_vector.h:1143-1143,hashedmap.h:274-282,ga2la.h:112-126,domdec_constraints.cpp:254-264	_INTERNAL051658ea::atoms_to_settles(gmx_domdec_t, gmx_mtop_t const&, gmx::ArrayRef, gmx::ArrayRef > const>, int, int, InteractionList, std::vector >*)	InBetween	0.01	0.01	0.01	0.01	0.01	0.02	0.01	0.02	0.02	0.03	0	0	0.00	0	0.01	31
5233	libgromacs_mpi.so.7 - stl_algobase.h:922-922,threaded_force_buffer.cpp:122-122	gmx::ThreadForceBuffer::resizeBufferAndClearMask(int)	Single	0.01	0	0.01	0.01	0.01	0.02	0.01	0.02	0.02	0.03	0	0	0.00	0	0.01	31
21733	libgromacs_mpi.so.7 - stl_vector.h:1143-1143,pme_spread.cpp:523-702	_INTERNALae0e43be::reduce_threadgrid_overlap(gmx_pme_t const, pmegrids_t const, int, float, float, float*, int)	InBetween	0.01	0.01	0.01	0.01	0.01	0.02	0.01	0.02	0.02	0.04	0	0	0.00	0	0.01	31
2827	libgromacs_mpi.so.7 - pairlist.cpp:3543-3546,bitmask.h:191-191	_INTERNALb293ce76::reduce_buffer_flags(gmx::ArrayRef, int, gmx::ArrayRef >)	Innermost	0.01	0	0.01	0.01	0.01	0.22	0.11	0.16	0.15	0.22	0	0	0.00	0	0	31
1595	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:104-182,atomdata.cpp:1106-1221	L__ZN17_INTERNALa817b2b737nbnxn_atomdata_add_nbat_f_to_f_reduceEP16nbnxn_atomdata_ti_1188__par_region0_2_51	InBetween	0.01	0	0.01	0.01	0.01	0.04	0.01	0.03	0.03	0.05	0	0	0.00	0	0.01	31
18637	libgromacs_mpi.so.7 - lincs.cpp:1215-1223,vectypes.h:120-120	_INTERNAL1bba7552::gmx::do_lincs(_INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector const>, _INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector >, float const () [3], t_pbc, _INTERNAL1bba7552::gmx::Lincs, int, _INTERNAL1bba7552::gmx::ArrayRef, t_commrec const, bool, float, bool, float, _INTERNAL1bba7552::gmx::ArrayRef<_INTERNAL1bba7552::gmx::BasicVector >, bool, float () [3])	Single	0.01	0.01	0.01	0.01	0.01	0.02	0.01	0.02	0.02	0.03	0	0	0.00	0	0.01	31
21867	libgromacs_mpi.so.7 - fft_mkl.cpp:483-506	gmx_fft_1d_real(gmx_fft, gmx_fft_direction, void, void*)	Single	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.02	0.02	0.03	0	0	0.00	0	0.01	31
2668	libgromacs_mpi.so.7 - grid.h:251-302,tuple:236-236,stl_vector.h:988-1143,pairlist.cpp:2223-3507,arrayref.h:82-263,gridset.h:165-165,ishift.h:59-59,atomdata.h:261-261,listoflists.h:119-119	void _INTERNALb293ce76::nbnxn_make_pairlist_part(Nbnxm::GridSet const&, Nbnxm::Grid const&, Nbnxm::Grid const&, PairsearchWork, nbnxn_atomdata_t const, gmx::ListOfLists const&, float, PairlistType, int, bool, int, bool, float, int, int, NbnxnPairlistCpu, t_nblist)	InBetween	0.01	0	0.01	0.01	0.01	0.02	0.01	0.01	0.01	0.03	0	0	0.00	0	0	31
3950	libgromacs_mpi.so.7 - stl_vector.h:1143-1143,hashedmap.h:274-282,ga2la.h:112-118,localtopology.cpp:505-513	int _INTERNAL80d859f8::assignInteractionsForAtom(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 const>, InteractionDefinitions*, int, gmx::DDBondedChecking)	InBetween	0.01	0.01	0.01	0.01	0.01	0.02	0.01	0.02	0.02	0.03	0	0	0.00	0	0.01	31
18684	libgromacs_mpi.so.7 - stl_vector.h:1124-1287,stl_iterator.h:1240-1240,arrayref.h:82-82,new_allocator.h:175-175,lincs.cpp:1705-1715,bitmask.h:162-162	L__ZN17_INTERNAL1bba75523gmx18lincs_thread_setupEPNS0_5LincsEi_1695__par_region2_2_84	Innermost	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.02	0	0	0.00	0	0.01	31
1991	libgromacs_mpi.so.7 - arrayref.h:82-263,vectypes.h:122-122,grid.cpp:329-408	_INTERNAL5ce61142::Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef const>, float, float, int, gmx::ArrayRef)	Outermost	0.01	0.01	0.01	0.01	0.01	0.02	0.01	0.02	0.02	0.03	0	0	0.00	0	0.01	31
3703	libgromacs_mpi.so.7 - vector.tcc:629-638,stl_vector.h:378-1919,new_allocator.h:120-126,idef.h:231-231	_INTERNAL051658ea::atoms_to_settles(gmx_domdec_t, gmx_mtop_t const&, gmx::ArrayRef, gmx::ArrayRef > const>, int, int, InteractionList, std::vector >*)	InBetween	0.01	0	0.01	0.01	0.01	0.02	0.01	0.03	0.03	0.04	0	0	0.00	0	0	31
21784	libgromacs_mpi.so.7 - fft.cpp:132-140	gmx_fft_many_1d_real(gmx_fft, gmx_fft_direction, void, void*)	Single	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.03	0	0	0.00	0	0.01	31
3711	libgromacs_mpi.so.7 - vector.tcc:114-517,iterator_interface.hpp:166-459,stl_vector.h:378-1934,stl_iterator.h:1333-1333,arrayref.h:82-180,new_allocator.h:120-175,idef.h:231-235,stl_uninitialized.h:1105-1117,constr.h:287-293,hashedmap.h:274-282,ga2la.h:112-126,mtop_lookup.h:87-118,domdec_constraints.cpp:314-375,listoflists.h:145-146	_INTERNAL051658ea::atoms_to_constraints(gmx_domdec_t, gmx_mtop_t const&, gmx::ArrayRef, gmx::ArrayRef const>, int, InteractionList, std::vector >*)	Outermost	0.01	0	0.01	0.01	0.01	0.17	0.1	0.15	0.15	0.18	0	0	0.00	0	0	31
3712	libgromacs_mpi.so.7 - vector.tcc:114-517,iterator_interface.hpp:459-459,stl_vector.h:378-1934,stl_iterator.h:1333-1333,arrayref.h:85-85,new_allocator.h:120-175,idef.h:231-235,stl_uninitialized.h:1105-1117,constr.h:287-293,hashedmap.h:274-282,ga2la.h:112-126,domdec_constraints.cpp:338-375	_INTERNAL051658ea::atoms_to_constraints(gmx_domdec_t, gmx_mtop_t const&, gmx::ArrayRef, gmx::ArrayRef const>, int, InteractionList, std::vector >*)	InBetween	0.01	0	0.01	0.01	0.01	0.17	0.11	0.17	0.17	0.22	0	0	0.00	0	0	31
2687	libgromacs_mpi.so.7 - pairlist.cpp:281-285	void _INTERNALb293ce76::get_cell_range<0>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int, int)	Single	0.01	0	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.03	0	0	0.00	0	0	31
5252	libgromacs_mpi.so.7 - stl_algobase.h:909-910	gmx::ThreadForceBuffer::clearForcesAndEnergies()	Single	0.01	0	0.01	0.01	0.01	0.02	0.01	0.01	0.01	0.03	0	0	0.00	0	0	31
2679	libgromacs_mpi.so.7 - pairlist.cpp:272-276	void _INTERNALb293ce76::get_cell_range<1>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int, int)	Single	0.01	0	0.00	0	0.01	0.01	0.01	0.01	0.01	0.01	0	0	0.00	0	0	31
21652	libgromacs_mpi.so.7 - pme_solve.cpp:486-496	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Innermost	0.01	0	0.00	0	0.01	0.01	0	0.01	0.01	0.02	0	0	0.00	0	0	31
2667	libgromacs_mpi.so.7 - grid.h:251-302,tuple:236-236,functions.h:321-321,stl_vector.h:988-1143,pairlist.cpp:2223-3507,arrayref.h:82-263,gridset.h:165-165,ishift.h:59-59,atomdata.h:261-261,listoflists.h:119-119	void _INTERNALb293ce76::nbnxn_make_pairlist_part(Nbnxm::GridSet const&, Nbnxm::Grid const&, Nbnxm::Grid const&, PairsearchWork, nbnxn_atomdata_t const, gmx::ListOfLists const&, float, PairlistType, int, bool, int, bool, float, int, int, NbnxnPairlistCpu, t_nblist)	InBetween	0.01	0	0.00	0	0.01	0.01	0.01	0.01	0.01	0.02	0	0	0.00	0	0	31
1569	libgromacs_mpi.so.7 - grid.h:262-266,stl_vector.h:1143-1261,atomdata.cpp:1006-1011,arrayref.h:72-72	L__Z31nbnxn_atomdata_copy_x_to_nbat_xRKN5Nbnxm7GridSetEN3gmx12AtomLocalityEPA3_KfP16nbnxn_atomdata_t_993__par_region0_2_45	Innermost	0.01	0	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.02	0	0	0.00	0	0	31
2005	libgromacs_mpi.so.7 - stl_vector.h:1143-1143,arrayref.h:82-82,updategroupscog.h:116-116,vectypes.h:122-122,grid.cpp:1241-1311	Nbnxm::Grid::calcColumnIndices(Nbnxm::Grid::Dimensions const&, gmx::UpdateGroupsCog const, gmx::Range, gmx::ArrayRef const>, int, int const, int, int, gmx::ArrayRef, gmx::ArrayRef)	Single	0.01	0	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.02	0	0	0.00	0	0.01	31
4286	libgromacs_mpi.so.7 - vec.h:141-199,redistribute.cpp:349-421	_INTERNAL3b86f157::calc_cg_move(_IO_FILE, long, gmx_domdec_t, t_state, int const, float () [3], float const, float const*, MoveLimits const&, int, int, gmx::ArrayRef)	InBetween	0.01	0	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.02	0	0	0.00	0	0	31
3962	libgromacs_mpi.so.7 - vector.tcc:629-695,stl_algobase.h:920-1148,stl_vector.h:378-1934,new_allocator.h:120-158,idef.h:243-247,stl_uninitialized.h:657-1117,range.h:84-88,array:61-284,stl_construct.h:119-119,localtopology.cpp:601-700	int _INTERNAL80d859f8::make_bondeds_zone(gmx_reverse_top_t const&, gmx::ArrayRef, gmx_ga2la_t const&, gmx_domdec_zones_t const&, std::vector > const&, bool, int const, bool, float, t_pbc const, gmx::ArrayRef const>, t_iparams const, InteractionDefinitions, int, gmx::Range const&)	Outermost	0.01	0	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.02	0	0	0.00	0	0	31
4185	libgromacs_mpi.so.7 - vector.tcc:452-517,stl_vector.h:378-1934,stl_iterator.h:1333-1333,new_allocator.h:120-175,stl_uninitialized.h:1105-1117,hashedmap.h:144-204,ga2la.h:84-88,partition.cpp:525-533	_INTERNAL83cfe191::make_dd_indices(gmx_domdec_t*, int)	InBetween	0.01	0	0.01	0.01	0.01	0.13	0.08	0.13	0.13	0.17	0	0	0.00	0	0	31
4097	libgromacs_mpi.so.7 - stl_vector.h:1124-1124,hashedmap.h:229-255,ga2la.h:99-101,partition.cpp:643-645	_INTERNAL83cfe191::clearDDStateIndices(gmx_domdec_t*, bool)	Outermost	0	0	0.00	0	0.01	0.13	0.08	0.12	0.12	0.18	0	0	0.00	0	0	31
18641	libgromacs_mpi.so.7 - arrayref.h:263-263,lincs.cpp:1193-1195	_INTERNAL1bba7552::gmx::do_lincs(_INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector const>, _INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector >, float const () [3], t_pbc, _INTERNAL1bba7552::gmx::Lincs, int, _INTERNAL1bba7552::gmx::ArrayRef, t_commrec const, bool, float, bool, float, _INTERNAL1bba7552::gmx::ArrayRef<_INTERNAL1bba7552::gmx::BasicVector >, bool, float () [3])	Single	0	0	0.00	0	0.01	0.01	0.01	0.01	0.01	0.02	0	0	0.00	0	0	31
2678	libgromacs_mpi.so.7 - pairlist.cpp:281-285	void _INTERNALb293ce76::get_cell_range<1>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int, int)	Single	0	0	0.00	0	0.01	0.01	0.01	0.01	0.01	0.02	0	0	0.00	0	0	31
18697	libgromacs_mpi.so.7 - iterator_interface.hpp:459-459,stl_vector.h:1124-1124,arrayref.h:85-85,lincs.cpp:1942-1947	_INTERNAL1bba7552::gmx::set_matrix_indices(_INTERNAL1bba7552::gmx::Lincs*, _INTERNAL1bba7552::gmx::Task const&, _INTERNAL1bba7552::gmx::ListOfLists const&, bool)	Innermost	0	0	0.00	0	0.01	0.01	0	0.01	0.01	0.02	0	0	0.00	0	0	31
1983	libgromacs_mpi.so.7 - grid.cpp:823-834	_INTERNAL5ce61142::Nbnxm::sort_cluster_on_flag(int, int, int, gmx::ArrayRef, gmx::ArrayRef, int*)	Innermost	0	0	0.00	0	0.01	0.01	0.01	0.01	0.01	0.02	0	0	0.00	0	0	31
18685	libgromacs_mpi.so.7 - iterator_interface.hpp:166-459,stl_algobase.h:1514-1514,stl_vector.h:869-1261,stl_iterator.h:1072-1333,arrayref.h:85-85,lincs.cpp:1936-1962,move.h:204-206,stl_heap.h:139-422,predefined_ops.h:45-98,listoflists.h:145-146,stl_algo.h:1786-1938	_INTERNAL1bba7552::gmx::set_matrix_indices(_INTERNAL1bba7552::gmx::Lincs*, _INTERNAL1bba7552::gmx::Task const&, _INTERNAL1bba7552::gmx::ListOfLists const&, bool)	Outermost	0	0	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.02	0	0	0.00	0	0	31
4134	libgromacs_mpi.so.7 - iterator_interface.hpp:459-459,arrayref.h:82-85,partition.cpp:2517-2519	void _INTERNAL83cfe191::orderVector >(gmx::ArrayRef, gmx::ArrayRef >, gmx::ArrayRef >)	Single	0	0	0.01	0.01	0.01	0.11	0.08	0.15	0.16	0.2	0	0	0.00	0	0	31
21811	libgromacs_mpi.so.7 - fft5d.cpp:899-1382	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	InBetween	0	0	0.00	0	0	0.01	0	0.01	0.01	0.02	0	0	0.00	0	0	31
18642	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:104-198,commrec.h:171-171,stl_vector.h:1124-1124,lincs.cpp:1123-1173,arrayrefwithpadding.h:155-155	_INTERNAL1bba7552::gmx::do_lincs(_INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector const>, _INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector >, float const () [3], t_pbc, _INTERNAL1bba7552::gmx::Lincs, int, _INTERNAL1bba7552::gmx::ArrayRef, t_commrec const, bool, float, bool, float, _INTERNAL1bba7552::gmx::ArrayRef<_INTERNAL1bba7552::gmx::BasicVector >, bool, float () [3])	Outermost	0	0	0.00	0	0	0.01	0	0.01	0.01	0.02	0	0	0.00	0	0	31
17979	libgromacs_mpi.so.7 - vec.h:328-330,tuple:236-236,constr.cpp:587-607,arrayrefwithpadding.h:107-165	L__ZN3gmx11Constraints4Impl5applyEbblifNS_19ArrayRefWithPaddingINS_11BasicVectorIfEEEES5_NS_8ArrayRefIS4_EEPA3_KffPfS5_bPA3_fNS_18ConstraintVariableE_587__par_region0_2_174	Single	0	0	0.00	0	0.01	0.01	0	0.01	0.01	0.02	0	0	0.00	0	0	31
21657	libgromacs_mpi.so.7 - pme_solve.cpp:473-475	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Innermost	0	0	0.00	0	0	0.01	0.01	0.01	0.01	0.02	0	0	0.00	0	0	31
21655	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:104-230,pme_solve.cpp:234-238	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Innermost	0	0	0.00	0	0.01	0.01	0.01	0.01	0.01	0.02	0	0	0.00	0	0	31
19300	libgromacs_mpi.so.7 - iterator_interface.hpp:166-459,commrec.h:171-171,functions.h:397-402,cmath:223-223,stl_vector.h:1256-1256,arrayref.h:72-310,update.cpp:932-1813,arrayrefwithpadding.h:157-157	gmx::Update::Impl::update_coords(t_inputrec const&, long, int, bool, gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef, t_state, gmx::ArrayRefWithPadding const> const&, t_fcdata, gmx_ekindata_t const, float const () [3], int, t_commrec const*, bool)	InBetween	0	0	0.00	0	0.01	0.01	0.01	0.01	0.01	0.02	0	0	0.00	0	0.01	31
1568	libgromacs_mpi.so.7 - grid.h:233-266,stl_vector.h:1143-1261,atomdata.cpp:998-1011,arrayref.h:72-72	L__Z31nbnxn_atomdata_copy_x_to_nbat_xRKN5Nbnxm7GridSetEN3gmx12AtomLocalityEPA3_KfP16nbnxn_atomdata_t_993__par_region0_2_45	InBetween	0	0	0.00	0	0	0.01	0	0.01	0.01	0.02	0	0	0.00	0	0	31
20950	libgromacs_mpi.so.7 - vec.h:115-335,functions.h:164-164,bonded.cpp:129-2327	float _INTERNALc075c6e4::(anonymous namespace)::idihs<(BondedKernelFlavor)2>(int, int const, t_iparams const, float const () [3], float () [4], float () [3], t_pbc const, float, float, gmx::ArrayRef, t_fcdata, t_disresdata, t_oriresdata, int*)	Single	0	0	0.00	0	0	0.02	0.01	0.01	0.01	0.03	0	0	0.00	0	0	31
4133	libgromacs_mpi.so.7 - stl_algobase.h:383-385,arrayref.h:82-82	void _INTERNAL83cfe191::orderVector >(gmx::ArrayRef, gmx::ArrayRef >, gmx::ArrayRef >)	Single	0	0	0.00	0	0	0.09	0.04	0.08	0.08	0.12	0	0	0.00	0	0	31
5245	libgromacs_mpi.so.7 - vector.tcc:452-517,stl_vector.h:378-1919,stl_iterator.h:1333-1333,new_allocator.h:120-175,stl_uninitialized.h:1105-1117,array:61-61,bitmask.h:154-154,threaded_force_buffer.cpp:133-135	gmx::ThreadForceBuffer::processMask()	Single	0	0	0.00	0	0.01	0.01	0	0.01	0.01	0.02	0	0	0.00	0	0	31
5297	libgromacs_mpi.so.7 - tuple:236-236,stl_vector.h:1256-1256,threaded_force_buffer.cpp:365-367	gmx::ThreadedForceBuffer::reduce(gmx::ForceWithShiftForces, float, gmx_grppairener_t*, gmx::ArrayRef, gmx::StepWorkload const&, int)	Innermost	0	0	0.00	0	0	0.08	0.04	0.09	0.09	0.13	0	0	0.00	0	0	31
21812	libgromacs_mpi.so.7 - fft5d.cpp:899-1382	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	InBetween	0	0	0.00	0	0.01	0.01	0	0.01	0.01	0.02	0	0	0.00	0	0	31
1980	libgromacs_mpi.so.7 - arrayref.h:263-263,grid.cpp:816-868	_INTERNAL5ce61142::Nbnxm::sort_cluster_on_flag(int, int, int, gmx::ArrayRef, gmx::ArrayRef, int*)	Outermost	0	0	0.00	0	0	0.01	0	0.01	0.01	0.02	0	0	0.00	0	0	31
4063	libgromacs_mpi.so.7 - iterator_interface.hpp:459-459,arrayref.h:85-85,partition.cpp:2517-2519	void _INTERNAL83cfe191::orderVector(gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef)	Single	0	0	0.00	0	0	0.08	0.02	0.05	0.05	0.09	0	0	0.00	0	0	31
1951	libgromacs_mpi.so.7 - grid.h:262-262,range.h:84-88,grid.cpp:1465-1466	Nbnxm::Grid::setCellIndices(int, int, Nbnxm::GridSetData, gmx::ArrayRef, gmx::Range, gmx::ArrayRef, gmx::ArrayRef const>, int, nbnxn_atomdata_t)	Single	0	0	0.00	0	0	0.07	0.04	0.07	0.07	0.1	0	0	0.00	0	0	31
21817	libgromacs_mpi.so.7 - fft5d.cpp:947-949	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	Innermost	0	0	0.00	0	0	0.01	0	0.01	0.01	0.02	0	0	0.00	0	0	31
18696	libgromacs_mpi.so.7 - iterator_interface.hpp:459-459,stl_vector.h:1124-1124,arrayref.h:85-85,lincs.cpp:1950-1955	_INTERNAL1bba7552::gmx::set_matrix_indices(_INTERNAL1bba7552::gmx::Lincs*, _INTERNAL1bba7552::gmx::Task const&, _INTERNAL1bba7552::gmx::ListOfLists const&, bool)	Innermost	0	0	0.00	0	0	0.01	0	0.01	0.01	0.01	0	0	0.00	0	0	31
2685	libgromacs_mpi.so.7 - stl_algobase.h:909-910	_INTERNALb293ce76::closeIEntry(NbnxnPairlistCpu*, int, bool, float, int, int)	Single	0	0	0.00	0	0	0.01	0	0.01	0.01	0.02	0	0	0.00	0	0	31
21732	libgromacs_mpi.so.7 - stl_vector.h:1143-1143,pme_spread.cpp:523-702	_INTERNALae0e43be::reduce_threadgrid_overlap(gmx_pme_t const, pmegrids_t const, int, float, float, float*, int)	InBetween	0	0	0.00	0	0	0	0	0.01	0.01	0.02	0	0	0.00	0	0	31
4287	libgromacs_mpi.so.7 - vec.h:141-206,redistribute.cpp:74-428,vectypes.h:122-122	_INTERNAL3b86f157::calc_cg_move(_IO_FILE, long, gmx_domdec_t, t_state, int const, float () [3], float const, float const*, MoveLimits const&, int, int, gmx::ArrayRef)	Outermost	0	0	0.00	0	0	0.01	0	0.01	0.01	0.02	0	0	0.00	0	0	31
3927	libgromacs_mpi.so.7 - arrayref.h:82-82,localtopology.cpp:103-103,stl_algo.h:571-583	_INTERNAL80d859f8::atomInMolblockFromGlobalAtomnr(gmx::ArrayRef, int)	Single	0	0	0.00	0	0	0.01	0	0.01	0.01	0.02	0	0	0.00	0	0	31
2133	libgromacs_mpi.so.7 - kerneldispatch.cpp:83-375,stl_algobase.h:921-922,stl_vector.h:869-1256,stl_iterator.h:1072-1072	L__ZN17_INTERNAL53d1705a16nbnxn_kernel_cpuERK11PairlistSetRKN5Nbnxm11KernelSetupEP16nbnxn_atomdata_tRK19interaction_const_tN3gmx8ArrayRefIKNSC_11BasicVectorIfEEEERKNSC_12StepWorkloadEiPfSL_P13gmx_wallcycle_265__par_region0_2_20	Outermost	0	0	0.00	0	0.01	0.01	0.01	0.01	0.01	0.02	0	0	0.00	0	0	31
4275	libgromacs_mpi.so.7 - vec.h:204-206,stl_vector.h:1124-1124,redistribute.cpp:91-100,array:61-61	_INTERNAL3b86f157::copyMovedAtomsToBufferPerAtom(gmx::ArrayRef, int, int, float () [3], gmx_domdec_comm_t)	Single	0	0	0.00	0	0	0.06	0.02	0.04	0.04	0.07	0	0	0.00	0	0	31
4013	libgromacs_mpi.so.7 - stl_algobase.h:383-385	void std::vector >::_M_range_insert >(__gnu_cxx::__normal_iterator > >, gmx::ArrayRefIter, gmx::ArrayRefIter, std::forward_iterator_tag)	Single	0	0	0.00	0	0	0.01	0	0.01	0.01	0.01	0	0	0.00	0	0	31
2811	libgromacs_mpi.so.7 - stl_vector.h:988-1143,pairlist.cpp:3709-3728	L__ZN17_INTERNALb293ce7620rebalanceSimpleListsEN3gmx8ArrayRefIK16NbnxnPairlistCpuEENS1_IS2_EENS1_I14PairsearchWorkEE_3681__par_region0_2_143	Innermost	0	0	0.00	0	0	0.01	0	0.01	0.01	0.01	0	0	0.00	0	0	31
1643	libgromacs_mpi.so.7 - stl_uninitialized.h:1091-1091,alloc_traits.h:261-378	nbnxn_atomdata_t::resizeForceBuffers()	Innermost	0	0	0.00	0	0	0.05	0.04	0.06	0.06	0.08	0	0	0.00	0	0	31
21120	libgromacs_mpi.so.7 - stl_vector.h:1124-1143,array:61-61,bitmask.h:136-136,threaded_force_buffer.h:110-110,manage_threading.cpp:363-367	setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&)	InBetween	0	0	0.00	0	0	0	0	0.01	0.01	0.02	0	0	0.00	0	0	31
21718	libgromacs_mpi.so.7 - pme_internal.h:211-211,pme_spread.cpp:911-923	L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_910__par_region0_2_2	Single	0	0	0.00	0	0	0.01	0	0.01	0.01	0.02	0	0	0.00	0	0	31
3942	libgromacs_mpi.so.7 - stl_vector.h:1124-1124,idef.h:245-247,localtopology.cpp:565-565	int _INTERNAL80d859f8::assignInteractionsForAtom(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 const>, InteractionDefinitions*, int, gmx::DDBondedChecking)	Innermost	0	0	0.00	0	0	0.01	0	0.01	0.01	0.03	0	0	0.00	0	0	31
19525	libgromacs_mpi.so.7 - vcm.cpp:288-292,vectypes.h:120-120	void _INTERNALa73835ba::doStopComMotionLinear<3>(t_mdatoms const&, gmx::ArrayRef >, t_vcm const&)	Single	0	0	0.00	0	0	0	0	0.01	0.01	0.01	0	0	0.00	0	0	31
5246	libgromacs_mpi.so.7 - stl_vector.h:1124-1124,threaded_force_buffer.cpp:90-94	gmx::ThreadForceBuffer::clearForcesAndEnergies()	Outermost	0	0	0.00	0	0	0.01	0	0.01	0.01	0.01	0	0	0.00	0	0	31
5257	libgromacs_mpi.so.7 - alloc_traits.h:378-835	gmx::ThreadForceBuffer::~ThreadForceBuffer()	Single	0	0	0.00	0	0	0.05	0.01	0.04	0.04	0.06	0	0	0.00	0	0	31
126	gmx_mpi -	__intel_skx_avx512_memcpy	Single	0	0	0.00	0	0	0.05	0.01	0.04	0.04	0.08	0	0	0.00	0	0	31
21815	libgromacs_mpi.so.7 - fft5d.cpp:947-949	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	Innermost	0	0	0.00	0	0	0.01	0	0.01	0.01	0.01	0	0	0.00	0	0	31
2688	libgromacs_mpi.so.7 - pairlist.cpp:272-276	void _INTERNALb293ce76::get_cell_range<0>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int, int)	Single	0	0	0.00	0	0	0.01	0	0.01	0.01	0.02	0	0	0.00	0	0	31
21804	libgromacs_mpi.so.7 - fft5d.cpp:835-886	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	InBetween	0	0	0.00	0	0	0.01	0	0.01	0.01	0.02	0	0	0.00	0	0	31
2665	libgromacs_mpi.so.7 - grid.h:251-302,tuple:236-236,functions.h:321-321,stl_vector.h:988-1143,pairlist.cpp:2223-3512,arrayref.h:82-263,gridset.h:165-165,ishift.h:59-59,atomdata.h:261-261,listoflists.h:119-119	void _INTERNALb293ce76::nbnxn_make_pairlist_part(Nbnxm::GridSet const&, Nbnxm::Grid const&, Nbnxm::Grid const&, PairsearchWork, nbnxn_atomdata_t const, gmx::ListOfLists const&, float, PairlistType, int, bool, int, bool, float, int, int, NbnxnPairlistCpu, t_nblist)	InBetween	0	0	0.00	0	0	0.01	0	0.01	0.01	0.01	0	0	0.00	0	0	31
107	gmx_mpi -	__intel_avx_memmove	Single	0	0	0.00	0	0	0.04	0.02	0.04	0.04	0.07	0	0	0.00	0	0	31
18680	libgromacs_mpi.so.7 - iterator_interface.hpp:459-459,stl_algobase.h:922-922,arrayref.h:85-85,lincs.cpp:1614-1614	_INTERNAL1bba7552::gmx::lincs_thread_setup(_INTERNAL1bba7552::gmx::Lincs*, int)	Single	0	0	0.00	0	0	0.04	0.02	0.04	0.04	0.08	0	0	0.00	0	0	31
18708	libgromacs_mpi.so.7 - stl_vector.h:1124-1124,arrayref.h:82-82,lincs.cpp:2117-2151	gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef, float, bool, t_commrec const, gmx::Lincs)	Innermost	0	0	0.00	0	0	0.04	0	0.03	0.04	0.05	0	0	0.00	0	0	31
1978	libgromacs_mpi.so.7 - arrayref.h:263-263,grid.cpp:921-923	Nbnxm::Grid::fillCell(Nbnxm::GridSetData, nbnxn_atomdata_t, int, int, gmx::ArrayRef, gmx::ArrayRef const>, Nbnxm::BoundingBox*)	Single	0	0	0.00	0	0	0.01	0	0.00	0	0.01	0	0	0.00	0	0	31
18652	libgromacs_mpi.so.7 - arrayref.h:263-263,lincs.cpp:270-287,move.h:204-206	_INTERNAL1bba7552::gmx::lincs_matrix_expand(_INTERNAL1bba7552::gmx::Lincs const&, _INTERNAL1bba7552::gmx::Task const&, _INTERNAL1bba7552::gmx::ArrayRef, _INTERNAL1bba7552::gmx::ArrayRef, _INTERNAL1bba7552::gmx::ArrayRef, _INTERNAL1bba7552::gmx::ArrayRef)	Outermost	0	0	0.00	0	0.01	0.01	0	0.01	0.01	0.02	0	0	0.00	0	0	31
19493	libgromacs_mpi.so.7 - arrayref.h:263-263,vcm.cpp:189-203	calc_vcm_grp(t_mdatoms const&, gmx::ArrayRef const>, gmx::ArrayRef const>, t_vcm*)	Single	0	0	0.00	0	0	0	0	0.01	0.01	0.01	0	0	0.00	0	0	31
21710	libgromacs_mpi.so.7 - pme_internal.h:211-211,stl_vector.h:1124-1143,pme_spread.cpp:186-988	L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_1010__par_region4_2_4	Outermost	0	0	0.00	0	0	0	0	0.01	0.01	0.01	0	0	0.00	0	0	31
19098	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:182-198,settle.cpp:661-673	void _INTERNAL4f3e572d::gmx::settleTemplate<_INTERNAL4f3e572d::gmx::SimdFloat, _INTERNAL4f3e572d::gmx::SimdFBool, 16, float const, true, true>(_INTERNAL4f3e572d::gmx::SettleData const&, int, int, float const, float const, float, float, float, float () [3], bool*)	Innermost	0	0	0.00	0	0	0.01	0	0.01	0.01	0.02	0	0	0.00	0	0	31
5621	libgromacs_mpi.so.7 - pbc_simd.cpp:59-61	set_pbc_simd(t_pbc const, float)	Single	0	0	0.00	0	0	0	0	0.01	0.01	0.01	0	0	0.00	0	0	31
4308	libgromacs_mpi.so.7 - arrayref.h:82-82,reversetopology.cpp:140-147	globalAtomIndexToMoltypeIndices(gmx::ArrayRef, int)	Single	0	0	0.00	0	0	0	0	0.01	0.01	0.02	0	0	0.00	0	0	31
123	gmx_mpi -	__intel_avx_memmove	Single	0	0	0.00	0	0	0.04	0.01	0.04	0.04	0.08	0	0	0.00	0	0	31
17950	libgromacs_mpi.so.7 - stl_vector.h:1143-1143,arrayref.h:82-82,constr.h:220-220,constr.cpp:907-918	gmx::make_at2con(int, gmx::ArrayRef, gmx::ArrayRef, gmx::FlexibleConstraintTreatment)	Innermost	0	0	0.00	0	0	0.04	0.02	0.03	0.03	0.05	0	0	0.00	0	0	31
1542	libgromacs_mpi.so.7 - atomdata.cpp:685-691	_INTERNALa817b2b7::nbnxn_atomdata_set_ljcombparams(nbnxn_atomdata_t::Params*, int, Nbnxm::GridSet const&)	Innermost	0	0	0.00	0	0	0.04	0.02	0.04	0.03	0.07	0	0	0.00	0	0	31
4061	libgromacs_mpi.so.7 - iterator_interface.hpp:459-459,arrayref.h:85-85,partition.cpp:2517-2519	void _INTERNAL83cfe191::orderVector(gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef)	Single	0	0	0.00	0	0	0.04	0.01	0.05	0.05	0.07	0	0	0.00	0	0	31
2089	libgromacs_mpi.so.7 - stl_vector.h:1124-1124,gridset.cpp:125-130	Nbnxm::GridSet::setLocalAtomOrder()	Innermost	0	0	0.00	0	0	0.04	0.01	0.03	0.04	0.06	0	0	0.00	0	0	31
5300	libgromacs_mpi.so.7 - vec.h:141-146,tuple:236-236,stl_vector.h:1256-1256,arrayref.h:263-263,threaded_force_buffer.cpp:353-355	gmx::ThreadedForceBuffer::reduce(gmx::ForceWithShiftForces, float, gmx_grppairener_t*, gmx::ArrayRef, gmx::StepWorkload const&, int)	Innermost	0	0	0.00	0	0	0.04	0.01	0.03	0.03	0.05	0	0	0.00	0	0	31
18677	libgromacs_mpi.so.7 - iterator_interface.hpp:459-459,stl_algobase.h:922-922,arrayref.h:85-85,lincs.cpp:1678-1678	_INTERNAL1bba7552::gmx::lincs_thread_setup(_INTERNAL1bba7552::gmx::Lincs*, int)	Single	0	0	0.00	0	0	0.04	0.01	0.04	0.04	0.06	0	0	0.00	0	0	31
21380	libgromacs_mpi.so.7 - alloc_traits.h:378-835	splinedata_t::~splinedata_t()	Single	0	0	0.00	0	0	0.04	0.01	0.04	0.04	0.07	0	0	0.00	0	0	31
1984	libgromacs_mpi.so.7 - grid.cpp:825-825	_INTERNAL5ce61142::Nbnxm::sort_cluster_on_flag(int, int, int, gmx::ArrayRef, gmx::ArrayRef, int*)	Innermost	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	31
2705	libgromacs_mpi.so.7 - pairlist.cpp:1252-1255,arrayref.h:263-263	_INTERNALb293ce76::setExclusionsForIEntry(Nbnxm::GridSet const&, NbnxnPairlistCpu*, bool, int, nbnxn_ci_t const&, gmx::ListOfLists const&)	Single	0	0	0.00	0	0	0	0	0.01	0.01	0.01	0	0	0.00	0	0	31
21105	libgromacs_mpi.so.7 - listed_forces.cpp:386-445,tuple:236-236,stl_vector.h:879-1256,stl_iterator.h:1224-1224,arrayref.h:180-180,utilities.h:56-57	_INTERNAL01945b58::calcBondedForces(InteractionDefinitions const&, bonded_threading_t, float const () [3], t_forcerec const, t_pbc const, float () [3], gmx_enerdata_t, t_nrnb, gmx::ArrayRef, gmx::ArrayRef, t_mdatoms const, t_fcdata, gmx::StepWorkload const&, int)	InBetween	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	30
19071	libgromacs_mpi.so.7 - settle.cpp:231-240,stl_vector.h:1124-1124	gmx::SettleData::setConstraints(InteractionList const&, int, gmx::ArrayRef, gmx::ArrayRef)	Single	0	0	0.00	0	0	0.03	0	0.02	0.02	0.04	0	0	0.00	0	0	29
21463	libgromacs_mpi.so.7 - pme_grid.cpp:496-539	unwrap_periodic_pmegrid(gmx_pme_t, float)	Outermost	0	0	0.00	0	0	0.01	0	0.00	0	0.01	0	0	0.00	0	0	31
3944	libgromacs_mpi.so.7 - stl_algobase.h:921-922	int _INTERNAL80d859f8::assignInteractionsForAtom(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 const>, InteractionDefinitions*, int, gmx::DDBondedChecking)	Innermost	0	0	0.00	0	0	0	0	0.01	0.01	0.02	0	0	0.00	0	0	31
21381	libgromacs_mpi.so.7 - alloc_traits.h:378-835	splinedata_t::~splinedata_t()	Single	0	0	0.00	0	0	0.03	0.01	0.04	0.04	0.08	0	0	0.00	0	0	31
1998	libgromacs_mpi.so.7 - impl_x86_avx_512_simd4_float.h:78-182,arrayref.h:82-82,grid.cpp:678-683	_INTERNAL5ce61142::Nbnxm::combine_bounding_box_pairs(_INTERNAL5ce61142::Nbnxm::Grid const&, gmx::ArrayRef<_INTERNAL5ce61142::Nbnxm::BoundingBox const>, gmx::ArrayRef<_INTERNAL5ce61142::Nbnxm::BoundingBox>)	Innermost	0	0	0.00	0	0	0.03	0	0.02	0.02	0.04	0	0	0.00	0	0	31
19299	libgromacs_mpi.so.7 - iterator_interface.hpp:166-459,commrec.h:171-171,functions.h:397-402,cmath:223-223,stl_vector.h:1256-1256,arrayref.h:72-310,update.cpp:932-1813,arrayrefwithpadding.h:157-157	gmx::Update::Impl::update_coords(t_inputrec const&, long, int, bool, gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef, t_state, gmx::ArrayRefWithPadding const> const&, t_fcdata, gmx_ekindata_t const, float const () [3], int, t_commrec const*, bool)	Outermost	0	0	0.00	0	0	0.01	0	0.00	0	0.01	0	0	0.00	0	0	31
4297	libgromacs_mpi.so.7 - vec.h:204-206,tuple:236-236,stl_vector.h:1124-1143,redistribute.cpp:112-123,arrayref.h:82-82,array:61-61,updategroupscog.h:116-116	_INTERNAL3b86f157::copyMovedUpdateGroupCogs(gmx::ArrayRef, int, gmx::ArrayRef const>, gmx_domdec_comm_t*)	Single	0	0	0.00	0	0	0.03	0	0.02	0.02	0.06	0	0	0.00	0	0	31
1590	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:104-182,stl_vector.h:988-1256,atomdata.cpp:1053-1221,arrayref.h:72-263,array:61-61,bitmask.h:152-154	L__ZN17_INTERNALa817b2b737nbnxn_atomdata_add_nbat_f_to_f_reduceEP16nbnxn_atomdata_ti_1188__par_region0_2_51	Outermost	0	0	0.00	0	0	0	0	0.01	0.01	0.02	0	0	0.00	0	0	31
115	gmx_mpi -	__intel_avx_memmove	Single	0	0	0.00	0	0	0.03	0	0.02	0.02	0.04	0	0	0.00	0	0	30
99	gmx_mpi -	__intel_avx_memmove	Single	0	0	0.00	0	0	0.03	0	0.02	0.02	0.04	0	0	0.00	0	0	31
4141	libgromacs_mpi.so.7 - iterator_interface.hpp:459-459,arrayref.h:85-85,partition.cpp:2551-2557	_INTERNAL83cfe191::dd_sort_order_nbnxn(t_forcerec const, std::vector >)	Innermost	0	0	0.00	0	0	0.03	0.01	0.03	0.03	0.06	0	0	0.00	0	0	31
5286	libgromacs_mpi.so.7 - tuple:236-236,stl_vector.h:1261-1261,array:61-61,bitmask.h:191-191,threaded_force_buffer.cpp:278-280	gmx::ThreadedForceBuffer::setupReduction()	Innermost	0	0	0.00	0	0	0.03	0.01	0.03	0.03	0.05	0	0	0.00	0	0	31
21716	libgromacs_mpi.so.7 - pme_spread.cpp:1011-1015	L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_1010__par_region4_2_4	Single	0	0	0.00	0	0	0	0	0.00	0	0.02	0	0	0.00	0	0	29
18665	libgromacs_mpi.so.7 - stl_vector.h:1124-1124,lincs.cpp:1251-1324	_INTERNAL1bba7552::gmx::set_lincs_matrix_task(_INTERNAL1bba7552::gmx::Lincs, _INTERNAL1bba7552::gmx::Task, _INTERNAL1bba7552::gmx::ArrayRef, int, int)	Outermost	0	0	0.00	0	0	0	0	0.01	0.01	0.01	0	0	0.00	0	0	31
111	gmx_mpi -	__intel_avx_memmove	Single	0	0	0.00	0	0	0.02	0	0.02	0.02	0.05	0	0	0.00	0	0	31
3984	libgromacs_mpi.so.7 - stl_vector.h:988-988,listoflists.h:192-194	_INTERNAL80d859f8::make_local_bondeds_excls(gmx_domdec_t const&, gmx_domdec_zones_t const&, gmx_mtop_t const&, gmx::ArrayRef, bool, int const, bool, float, t_pbc const, gmx::ArrayRef const>, InteractionDefinitions, gmx::ListOfLists)	Innermost	0	0	0.00	0	0	0.02	0.01	0.03	0.03	0.05	0	0	0.00	0	0	31
1956	libgromacs_mpi.so.7 - stl_vector.h:1124-1124,arrayref.h:82-82,grid.cpp:1400-1402	Nbnxm::Grid::setCellIndices(int, int, Nbnxm::GridSetData, gmx::ArrayRef, gmx::Range, gmx::ArrayRef, gmx::ArrayRef const>, int, nbnxn_atomdata_t)	Innermost	0	0	0.00	0	0	0.02	0	0.01	0.01	0.03	0	0	0.00	0	0	20
1509	libgromacs_mpi.so.7 - atomdata.cpp:125-127	_INTERNALa817b2b7::nbnxn_atomdata_set_atomtypes(nbnxn_atomdata_t::Params*, Nbnxm::GridSet const&, gmx::ArrayRef)	Innermost	0	0	0.00	0	0	0.02	0	0.02	0.02	0.05	0	0	0.00	0	0	30
5550	libgromacs_mpi.so.7 - vec.h:204-206,functions.h:321-321,pbc.cpp:477-560	_INTERNALbcb7f4c5::low_set_pbc(t_pbc, PbcType, int const, float const (*) [3])	InBetween	0	0	0.00	0	0	0.02	0	0.01	0.01	0.03	0	0	0.00	0	0	29
4228	libgromacs_mpi.so.7 - ga2la.h:156-158	gmx_ga2la_t::clear(bool)	Single	0	0	0.00	0	0	0.02	0	0.02	0.02	0.04	0	0	0.00	0	0	30
103	gmx_mpi -	__intel_avx_memmove	Single	0	0	0.00	0	0	0.02	0	0.02	0.02	0.05	0	0	0.00	0	0	29
21622	libgromacs_mpi.so.7 - stl_algobase.h:921-922	SplineCoefficients::realloc(int)	Single	0	0	0.00	0	0	0.02	0	0.01	0.01	0.02	0	0	0.00	0	0	26
21730	libgromacs_mpi.so.7 - pme_spread.cpp:96-98	_INTERNALae0e43be::calc_interpolation_idx(gmx_pme_t const, PmeAtomComm, int, int, int, int)	Single	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	31
17957	libgromacs_mpi.so.7 - stl_algobase.h:921-922	gmx::make_at2con(int, gmx::ArrayRef, gmx::ArrayRef, gmx::FlexibleConstraintTreatment)	Single	0	0	0.00	0	0	0.02	0	0.01	0.01	0.03	0	0	0.00	0	0	28
17955	libgromacs_mpi.so.7 - constr.cpp:892-895	gmx::make_at2con(int, gmx::ArrayRef, gmx::ArrayRef, gmx::FlexibleConstraintTreatment)	Single	0	0	0.00	0	0	0.02	0.01	0.03	0.03	0.05	0	0	0.00	0	0	30
5296	libgromacs_mpi.so.7 - tuple:236-236,stl_vector.h:1124-1124,arrayref.h:263-263,threaded_force_buffer.cpp:380-383	gmx::ThreadedForceBuffer::reduce(gmx::ForceWithShiftForces, float, gmx_grppairener_t*, gmx::ArrayRef, gmx::StepWorkload const&, int)	Innermost	0	0	0.00	0	0	0.02	0	0.00	0	0.02	0	0	0.00	0	0	23
1995	libgromacs_mpi.so.7 - arrayref.h:82-82,vectypes.h:122-122,grid.cpp:385-389	_INTERNAL5ce61142::Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef const>, float, float, int, gmx::ArrayRef)	Innermost	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	31
17867	libgromacs_mpi.so.7 - calc_verletbuf.cpp:162-178	_INTERNALc226143a::addAtomtype(std::vector >*, atom_nonbonded_kinetic_prop_t const&, int)	Innermost	0	0	0.00	0	0	0.02	0	0.02	0.02	0.04	0	0	0.00	0	0	31
4280	libgromacs_mpi.so.7 - stl_algobase.h:921-922	_INTERNAL3b86f157::getMovedBuffer(gmx_domdec_comm_t*, unsigned long, unsigned long)	Single	0	0	0.00	0	0	0.02	0	0.01	0.01	0.03	0	0	0.00	0	0	30
3943	libgromacs_mpi.so.7 - vector.tcc:635-635,stl_vector.h:1919-1919	int _INTERNAL80d859f8::assignInteractionsForAtom(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 const>, InteractionDefinitions*, int, gmx::DDBondedChecking)	Innermost	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	31
18773	libgromacs_mpi.so.7 - vec.h:328-335,md_support.cpp:114-157,vectypes.h:122-224	L__ZN17_INTERNAL727fa8dd19calc_ke_part_normalEN3gmx8ArrayRefIKNS0_11BasicVectorIfEEEEPK9t_grpoptsPK9t_mdatomsP14gmx_ekindata_tP6t_nrnbb_113__par_region0_2_11	Outermost	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	28
119	gmx_mpi -	__intel_avx_memmove	Single	0	0	0.00	0	0	0.01	0	0.02	0.02	0.04	0	0	0.00	0	0	30
95	gmx_mpi -	__intel_avx_memmove	Single	0	0	0.00	0	0	0.01	0	0.02	0.02	0.05	0	0	0.00	0	0	31
89	gmx_mpi -	__intel_avx_memmove	Single	0	0	0.00	0	0	0.01	0	0.01	0.01	0.03	0	0	0.00	0	0	31
1797	libgromacs_mpi.so.7 - alloc_traits.h:378-835	nbnxn_atomdata_t::~nbnxn_atomdata_t()	Innermost	0	0	0.00	0	0	0.01	0.01	0.03	0.03	0.06	0	0	0.00	0	0	31
21470	libgromacs_mpi.so.7 - pme_grid.cpp:500-504	unwrap_periodic_pmegrid(gmx_pme_t, float)	Innermost	0	0	0.00	0	0	0.01	0	0.01	0.01	0.03	0	0	0.00	0	0	30
3707	libgromacs_mpi.so.7 - vector.tcc:452-517,stl_vector.h:378-1919,stl_iterator.h:1333-1333,new_allocator.h:120-175,stl_uninitialized.h:1105-1117,array:61-61,hashedmap.h:274-282,ga2la.h:112-126,domdec_constraints.cpp:272-282	_INTERNAL051658ea::atoms_to_settles(gmx_domdec_t, gmx_mtop_t const&, gmx::ArrayRef, gmx::ArrayRef > const>, int, int, InteractionList, std::vector >*)	InBetween	0	0	0.00	0	0	0	0	0.01	0.01	0.01	0	0	0.00	0	0	31
21291	libgromacs_mpi.so.7 - stl_vector.h:1124-1124,pme.cpp:1402-1411	L__Z10gmx_pme_doP9gmx_pme_tN3gmx8ArrayRefIKNS1_11BasicVectorIfEEEENS2_IS4_EENS2_IKfEES9_S9_S9_S9_S9_PA3_S8_PK9t_commreciiP6t_nrnbP13gmx_wallcyclePA3_fSK_PfSL_ffSL_SL_RKNS1_12StepWorkloadE_1401__par_region1_2_70	Single	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	30
18679	libgromacs_mpi.so.7 - arrayref.h:82-82,lincs.cpp:1629-1632,bitmask.h:136-136	_INTERNAL1bba7552::gmx::lincs_thread_setup(_INTERNAL1bba7552::gmx::Lincs*, int)	Innermost	0	0	0.00	0	0	0.01	0	0.03	0.03	0.05	0	0	0.00	0	0	31
18676	libgromacs_mpi.so.7 - arrayref.h:82-82,lincs.cpp:1688-1691,bitmask.h:136-136	_INTERNAL1bba7552::gmx::lincs_thread_setup(_INTERNAL1bba7552::gmx::Lincs*, int)	Innermost	0	0	0.00	0	0	0.01	0	0.00	0	0.01	0	0	0.00	0	0	23
22178	libgromacs_mpi.so.7 - vec.h:204-330,commrec.h:171-171,tuple:236-236,stl_vector.h:1143-1143,enumerationhelpers.h:279-279,arrayref.h:85-191,array:61-61,unique_ptr.h:191-191,optional:213-213,md.cpp:352-2032,awh.h:257-257	gmx::LegacySimulator::do_md()	Outermost	0	0	0.00	0	0	0.01	0	0.01	0.01	0.04	0	0	0.00	0	0	29
21722	libgromacs_mpi.so.7 - pme_spread.cpp:165-167	_INTERNALae0e43be::calc_interpolation_idx(gmx_pme_t const, PmeAtomComm, int, int, int, int)	Single	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	30
21462	libgromacs_mpi.so.7 - pme_grid.cpp:518-522	unwrap_periodic_pmegrid(gmx_pme_t, float)	Innermost	0	0	0.00	0	0	0	0	0.01	0.005	0.01	0	0	0.00	0	0	30
21720	libgromacs_mpi.so.7 - stl_vector.h:1124-1124,pme_spread.cpp:172-174	_INTERNALae0e43be::calc_interpolation_idx(gmx_pme_t const, PmeAtomComm, int, int, int, int)	Single	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	30
1585	libgromacs_mpi.so.7 - atomdata.cpp:1263-1267	L__Z12reduceForcesP16nbnxn_atomdata_tN3gmx12AtomLocalityERKN5Nbnxm7GridSetEPA3_f_1262__par_region0_2_48	Single	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	27
4276	libgromacs_mpi.so.7 - stl_vector.h:1124-1124,redistribute.cpp:133-146,hashedmap.h:229-255,ga2la.h:99-101	_INTERNAL3b86f157::clear_and_mark_ind(gmx::ArrayRef, gmx::ArrayRef, gmx_ga2la_t, int)	Outermost	0	0	0.00	0	0	0.01	0	0.03	0.03	0.07	0	0	0.00	0	0	31
3395	libgromacs_mpi.so.7 - vec.h:284-284,functions.h:321-321,stl_vector.h:988-1143,arrayref.h:82-263,array:61-61,computemultibodycutoffs.cpp:76-116	_INTERNALc39bc2c0::bonded_cg_distance_mol(gmx_moltype_t const, gmx::DDBondedChecking, bool, gmx::ArrayRef const>, bonded_distance_t, bonded_distance_t*)	Outermost	0	0	0.00	0	0	0.01	0	0.00	0	0.01	0	0	0.00	0	0	22
2814	libgromacs_mpi.so.7 - vector.tcc:452-517,stl_algobase.h:922-922,stl_vector.h:378-1919,stl_iterator.h:1072-1728,pairlist.cpp:3612-3635,new_allocator.h:120-175,stl_uninitialized.h:347-351,array:61-61,bitmask.h:142-142	void _INTERNALb293ce76::copySelectedListRange(nbnxn_ci_t const, NbnxnPairlistCpu const, NbnxnPairlistCpu, std::array, int, int, int)	Outermost	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	29
21628	libgromacs_mpi.so.7 - stl_algobase.h:921-922	SplineCoefficients::realloc(int)	Single	0	0	0.00	0	0	0.01	0	0.01	0.01	0.02	0	0	0.00	0	0	26
17959	libgromacs_mpi.so.7 - stl_vector.h:988-1143,arrayref.h:82-82,constr.h:220-220,constr.cpp:877-885	gmx::make_at2con(int, gmx::ArrayRef, gmx::ArrayRef, gmx::FlexibleConstraintTreatment)	Innermost	0	0	0.00	0	0	0.01	0	0.01	0.01	0.03	0	0	0.00	0	0	31
3710	libgromacs_mpi.so.7 - stl_vector.h:1143-1143,mtop_lookup.h:93-106	_INTERNAL051658ea::atoms_to_settles(gmx_domdec_t, gmx_mtop_t const&, gmx::ArrayRef, gmx::ArrayRef > const>, int, int, InteractionList, std::vector >*)	Innermost	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	26
4273	libgromacs_mpi.so.7 - stl_vector.h:988-1934,redistribute.cpp:679-703,array:61-61	dd_redistribute_cg(_IO_FILE, long, gmx_domdec_t, int, t_state, t_forcerec, t_nrnb, int*)	Single	0	0	0.00	0	0	0.01	0	0.02	0.02	0.04	0	0	0.00	0	0	31
3995	libgromacs_mpi.so.7 - stl_vector.h:988-988,localtopology.cpp:340-342	_INTERNAL80d859f8::combine_idef(InteractionDefinitions*, gmx::ArrayRef)	Innermost	0	0	0.00	0	0	0.01	0	0.00	0	0.01	0	0	0.00	0	0	14
18709	libgromacs_mpi.so.7 - lincs.cpp:2079-2081	gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef, float, bool, t_commrec const, gmx::Lincs)	Single	0	0	0.00	0	0	0.01	0	0.00	0	0.01	0	0	0.00	0	0	17
18783	libgromacs_mpi.so.7 - stl_vector.h:1143-1143,mtop_lookup.h:93-106	atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef, int, gmx::MDAtoms*)	Innermost	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	21
18705	libgromacs_mpi.so.7 - stl_vector.h:1124-1124,lincs.cpp:2229-2231	gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef, float, bool, t_commrec const, gmx::Lincs)	Single	0	0	0.00	0	0	0.01	0	0.01	0.01	0.03	0	0	0.00	0	0	24
3700	libgromacs_mpi.so.7 - stl_algobase.h:921-922	_INTERNAL051658ea::atoms_to_settles(gmx_domdec_t, gmx_mtop_t const&, gmx::ArrayRef, gmx::ArrayRef > const>, int, int, InteractionList, std::vector >*)	Innermost	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	25
3692	libgromacs_mpi.so.7 - domdec_constraints.cpp:528-530	dd_make_local_constraints(gmx_domdec_t, int, gmx_mtop_t const&, gmx::ArrayRef, gmx::Constraints, int, gmx::ArrayRef)	Innermost	0	0	0.00	0	0	0.01	0	0.01	0.01	0.02	0	0	0.00	0	0	24
2991	libgromacs_mpi.so.7 - stl_iterator.h:1554-1554,new_allocator.h:175-175,stl_uninitialized.h:351-351	void std::vector > >::_M_realloc_insert(__gnu_cxx::__normal_iterator > > >, nbnxn_cj_t const&)	Single	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	24
2823	libgromacs_mpi.so.7 - stl_iterator.h:1554-1554,new_allocator.h:175-175,stl_uninitialized.h:351-351	void _INTERNALb293ce76::copySelectedListRange(nbnxn_ci_t const, NbnxnPairlistCpu const, NbnxnPairlistCpu, std::array, int, int, int)	Innermost	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	20
2666	libgromacs_mpi.so.7 - grid.h:251-302,tuple:236-236,stl_algobase.h:922-922,functions.h:321-321,stl_vector.h:988-1143,pairlist.cpp:2223-3514,arrayref.h:82-263,array:61-61,gridset.h:165-165,ishift.h:59-59,atomdata.h:261-261,listoflists.h:119-119	void _INTERNALb293ce76::nbnxn_make_pairlist_part(Nbnxm::GridSet const&, Nbnxm::Grid const&, Nbnxm::Grid const&, PairsearchWork, nbnxn_atomdata_t const, gmx::ListOfLists const&, float, PairlistType, int, bool, int, bool, float, int, int, NbnxnPairlistCpu, t_nblist)	InBetween	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	31
21601	libgromacs_mpi.so.7 - pme_redistribute.cpp:182-184,stl_vector.h:1124-1124	PmeAtomComm::setNumAtoms(int)	Innermost	0	0	0.00	0	0	0.01	0	0.01	0.01	0.01	0	0	0.00	0	0	24
21280	libgromacs_mpi.so.7 - array:61-61,pme.cpp:1224-1437	gmx_pme_do(gmx_pme_t, gmx::ArrayRef const>, gmx::ArrayRef >, gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef, float const () [3], t_commrec const, int, int, t_nrnb, gmx_wallcycle, float () [3], float () [3], float, float, float, float, float, float*, gmx::StepWorkload const&)	Single	0	0	0.00	0	0	0.01	0	0.01	0.01	0.01	0	0	0.00	0	0	12
17866	libgromacs_mpi.so.7 - calc_verletbuf.cpp:162-162	_INTERNALc226143a::addAtomtype(std::vector >*, atom_nonbonded_kinetic_prop_t const&, int)	Innermost	0	0	0.00	0	0	0.01	0	0.00	0	0.01	0	0	0.00	0	0	12
3396	libgromacs_mpi.so.7 - vec.h:284-284,iterator_interface.hpp:166-459,functions.h:321-321,arrayref.h:82-85,computemultibodycutoffs.cpp:76-136,listoflists.h:145-146	_INTERNALc39bc2c0::bonded_cg_distance_mol(gmx_moltype_t const, gmx::DDBondedChecking, bool, gmx::ArrayRef const>, bonded_distance_t, bonded_distance_t*)	Outermost	0	0	0.00	0	0	0.01	0	0.00	0	0.01	0	0	0.00	0	0	6
21435	libgromacs_mpi.so.7 - pme_grid.cpp:395-418	copy_fftgrid_to_pmegrid(gmx_pme_t, float const, float*, int, int, int)	Outermost	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	21
18663	libgromacs_mpi.so.7 - functions.h:164-164,stl_vector.h:1124-1124,lincs.cpp:1337-1342	_INTERNAL1bba7552::gmx::set_lincs_matrix(_INTERNAL1bba7552::gmx::Lincs*, _INTERNAL1bba7552::gmx::ArrayRef, float)	Single	0	0	0.00	0	0	0.01	0.01	0.02	0.03	0.04	0	0	0.00	0	0	31
17975	libgromacs_mpi.so.7 - constr.cpp:685-687	gmx::Constraints::Impl::apply(bool, bool, long, int, float, gmx::ArrayRefWithPadding >, gmx::ArrayRefWithPadding >, gmx::ArrayRef >, float const () [3], float, float, gmx::ArrayRefWithPadding >, bool, float (*) [3], gmx::ConstraintVariable)	Single	0	0	0.00	0	0	0.01	0	0.00	0	0.01	0	0	0.00	0	0	13
5281	libgromacs_mpi.so.7 - vector.tcc:452-517,tuple:236-236,stl_algobase.h:922-922,stl_vector.h:378-1919,stl_iterator.h:294-1333,arrayref.h:72-72,new_allocator.h:120-175,stl_uninitialized.h:1105-1117,array:61-61,bitmask.h:154-214,basic_string.h:241-1422,char_traits.h:354-354,threaded_force_buffer.cpp:272-301	gmx::ThreadedForceBuffer::setupReduction()	InBetween	0	0	0.00	0	0	0.01	0	0.01	0.01	0.02	0	0	0.00	0	0	25
2872	libgromacs_mpi.so.7 - stl_algobase.h:909-910	std::vector, std::allocator > >::_M_fill_insert(__gnu_cxx::__normal_iterator*, std::vector, std::allocator > > >, unsigned long, std::array const&)	Single	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	28
2820	libgromacs_mpi.so.7 - vector.tcc:452-517,stl_vector.h:378-1919,stl_iterator.h:1072-1728,pairlist.cpp:3616-3626,new_allocator.h:120-175,stl_uninitialized.h:347-351	void _INTERNALb293ce76::copySelectedListRange(nbnxn_ci_t const, NbnxnPairlistCpu const, NbnxnPairlistCpu, std::array, int, int, int)	Outermost	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	31
2810	libgromacs_mpi.so.7 - stl_vector.h:988-1143,pairlist.cpp:3703-3733,arrayref.h:82-82	L__ZN17_INTERNALb293ce7620rebalanceSimpleListsEN3gmx8ArrayRefIK16NbnxnPairlistCpuEENS1_IS2_EENS1_I14PairsearchWorkEE_3681__par_region0_2_143	Outermost	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	22
2677	libgromacs_mpi.so.7 - grid.h:251-251,stl_vector.h:1143-1143,pairlist.cpp:2778-2784	_INTERNALb293ce76::next_ci(Nbnxm::Grid const&, int, int, int, int, int, int)	Single	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	23
2654	libgromacs_mpi.so.7 - pairsearch.h:79-84,tuple:236-236,stl_vector.h:879-1934,stl_iterator.h:1224-1224,pairlist.cpp:223-4007,arrayref.h:82-82,cyclecounter.h:182-188,atomdata.h:258-258	L__ZN11PairlistSet18constructPairlistsEN3gmx19InteractionLocalityERKN5Nbnxm7GridSetENS0_8ArrayRefI14PairsearchWorkEEP16nbnxn_atomdata_tRKNS0_11ListOfListsIiEEiP6t_nrnbP19SearchCycleCounting_4092__par_region2_2_64	Innermost	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	17
2126	libgromacs_mpi.so.7 - kernel_common.cpp:99-99	clear_fshift(float*)	Single	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	25
1968	libgromacs_mpi.so.7 - grid.h:251-266,stl_vector.h:1124-1143,range.h:84-88,grid.cpp:1046-1093	Nbnxm::Grid::sortColumnsCpuGeometry(Nbnxm::GridSetData, int, gmx::ArrayRef, gmx::ArrayRef const>, nbnxn_atomdata_t, gmx::Range, gmx::ArrayRef)	Outermost	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	21
17961	libgromacs_mpi.so.7 - stl_algobase.h:921-922	gmx::make_at2con(int, gmx::ArrayRef, gmx::ArrayRef, gmx::FlexibleConstraintTreatment)	Single	0	0	0.00	0	0	0	0	0.01	0.01	0.02	0	0	0.00	0	0	29
21728	libgromacs_mpi.so.7 - pme_spread.cpp:154-156	_INTERNALae0e43be::calc_interpolation_idx(gmx_pme_t const, PmeAtomComm, int, int, int, int)	Single	0	0	0.00	0	0	0	0	0.01	0.01	0.01	0	0	0.00	0	0	31
18739	libgromacs_mpi.so.7 - alloc_traits.h:378-835	gmx::Lincs::~Lincs()	Single	0	0	0.00	0	0	0	0	0.00	0	0	0	0	0.00	0	0	1
5241	libgromacs_mpi.so.7 - stl_uninitialized.h:748-748,alloc_traits.h:261-261	gmx::ThreadForceBuffer::resizeBufferAndClearMask(int)	Single	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	23
3429	libgromacs_mpi.so.7 - stl_vector.h:1124-1283,distribute.cpp:436-442,new_allocator.h:175-175	_INTERNALd01bd45b::getAtomGroupDistribution(gmx::MDLogger const&, gmx_mtop_t const&, float const () [3], gmx_ddbox_t const&, float () [3], gmx_domdec_t*)	Innermost	0	0	0.00	0	0	0	0	0.00	0	0	0	0	0.00	0	0	2
21466	libgromacs_mpi.so.7 - pme_grid.cpp:535-539	unwrap_periodic_pmegrid(gmx_pme_t, float)	Innermost	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	14
17953	libgromacs_mpi.so.7 - stl_algobase.h:921-922	gmx::make_at2con(int, gmx::ArrayRef, gmx::ArrayRef, gmx::FlexibleConstraintTreatment)	Single	0	0	0.00	0	0	0	0	0.01	0.01	0.03	0	0	0.00	0	0	27
4142	libgromacs_mpi.so.7 - stl_uninitialized.h:637-637,stl_construct.h:119-119,domdec_internal.h:176-176	_INTERNAL83cfe191::dd_sort_order_nbnxn(t_forcerec const, std::vector >)	Innermost	0	0	0.00	0	0	0	0	0.00	0	0	0	0	0.00	0	0	3
3688	libgromacs_mpi.so.7 - hashedmap.h:290-293	dd_clear_local_constraint_indices(gmx_domdec_t*)	Innermost	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	18
2618	libgromacs_mpi.so.7 - alloc_traits.h:378-835	nonbonded_verlet_t::~nonbonded_verlet_t()	Single	0	0	0.00	0	0	0	0	0.00	0	0	0	0	0.00	0	0	1
5498	libgromacs_mpi.so.7 - mshift.cpp:654-775,iterator_interface.hpp:459-459,stl_vector.h:869-1143,arrayref.h:85-180,listoflists.h:109-146	mk_mshift(_IO_FILE, t_graph, PbcType, float const () [3], float const () [3])	InBetween	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	15
5553	libgromacs_mpi.so.7 - functions.h:321-321,pbc.cpp:527-529	_INTERNALbcb7f4c5::low_set_pbc(t_pbc, PbcType, int const, float const (*) [3])	Innermost	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	19
3400	libgromacs_mpi.so.7 - vec.h:284-284,functions.h:321-321,arrayref.h:82-82,computemultibodycutoffs.cpp:76-116	_INTERNALc39bc2c0::bonded_cg_distance_mol(gmx_moltype_t const, gmx::DDBondedChecking, bool, gmx::ArrayRef const>, bonded_distance_t, bonded_distance_t*)	Innermost	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	29
3022	libgromacs_mpi.so.7 - prunekerneldispatch.cpp:68-88,clusterdistancekerneltype.h:66-89,stl_vector.h:1124-1124	L__ZN11PairlistSet19dispatchPruneKernelEPK16nbnxn_atomdata_tN3gmx8ArrayRefIKNS3_11BasicVectorIfEEEE_68__par_region0_2_0	Outermost	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	9
1996	libgromacs_mpi.so.7 - arrayref.h:263-263,grid.cpp:397-402	_INTERNAL5ce61142::Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef const>, float, float, int, gmx::ArrayRef)	Innermost	0	0	0.00	0	0	0	0	0.00	0	0	0	0	0.00	0	0	4
2684	libgromacs_mpi.so.7 - stl_algobase.h:909-910	_INTERNALb293ce76::closeIEntry(NbnxnPairlistCpu*, int, bool, float, int, int)	Single	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	27
18023	libgromacs_mpi.so.7 - constraintrange.cpp:69-84	_INTERNALb7c28a0f::gmx::constr_recur(_INTERNALb7c28a0f::gmx::ListOfLists const&, std::array const&, _INTERNALb7c28a0f::gmx::ArrayRef, bool, int, int, int, _INTERNALb7c28a0f::gmx::ArrayRef, float, float, float, int)	Innermost	0	0	0.00	0	0	0	0	0.00	0	0	0	0	0.00	0	0	5
5249	libgromacs_mpi.so.7 - threaded_force_buffer.cpp:92-94	gmx::ThreadForceBuffer::clearForcesAndEnergies()	Innermost	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	17
3714	libgromacs_mpi.so.7 - stl_vector.h:1143-1143,mtop_lookup.h:93-106	_INTERNAL051658ea::atoms_to_constraints(gmx_domdec_t, gmx_mtop_t const&, gmx::ArrayRef, gmx::ArrayRef const>, int, InteractionList, std::vector >*)	Innermost	0	0	0.00	0	0	0	0	0.01	0.01	0.02	0	0	0.00	0	0	25
3398	libgromacs_mpi.so.7 - vec.h:284-284,functions.h:321-321,arrayref.h:82-263,computemultibodycutoffs.cpp:76-116	_INTERNALc39bc2c0::bonded_cg_distance_mol(gmx_moltype_t const, gmx::DDBondedChecking, bool, gmx::ArrayRef const>, bonded_distance_t, bonded_distance_t*)	InBetween	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	12
1971	libgromacs_mpi.so.7 - stl_vector.h:1124-1124,grid.cpp:1048-1087	Nbnxm::Grid::sortColumnsCpuGeometry(Nbnxm::GridSetData, int, gmx::ArrayRef, gmx::ArrayRef const>, nbnxn_atomdata_t, gmx::Range, gmx::ArrayRef)	Innermost	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	31
18683	libgromacs_mpi.so.7 - stl_vector.h:869-1287,stl_iterator.h:1240-1240,arrayref.h:82-82,new_allocator.h:175-175,lincs.cpp:1696-1715,bitmask.h:162-162	L__ZN17_INTERNAL1bba75523gmx18lincs_thread_setupEPNS0_5LincsEi_1695__par_region2_2_84	Outermost	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	11
5248	libgromacs_mpi.so.7 - enumerationhelpers.h:237-237,threaded_force_buffer.cpp:97-97	gmx::ThreadForceBuffer::clearForcesAndEnergies()	Single	0	0	0.00	0	0	0	0	0.00	0	0	0	0	0.00	0	0	6
24416	libgromacs_mpi.so.7 - iserializer.h:126-128	_INTERNAL932390f6::do_ilists(gmx::ISerializer, std::array, int)	Innermost	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	8
21104	libgromacs_mpi.so.7 - listed_forces.cpp:386-445,tuple:236-236,stl_vector.h:879-1256,stl_iterator.h:1224-1224,enumerationhelpers.h:279-279,arrayref.h:180-180,utilities.h:56-57,threaded_force_buffer.h:149-152	_INTERNAL01945b58::calcBondedForces(InteractionDefinitions const&, bonded_threading_t, float const () [3], t_forcerec const, t_pbc const, float () [3], gmx_enerdata_t, t_nrnb, gmx::ArrayRef, gmx::ArrayRef, t_mdatoms const, t_fcdata, gmx::StepWorkload const&, int)	Outermost	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	10
18217	libgromacs_mpi.so.7 - enumerationhelpers.h:237-237,enerdata_utils.cpp:323-323	reset_dvdl_enerdata(gmx_enerdata_t*)	Single	0	0	0.00	0	0	0	0	0.00	0	0	0	0	0.00	0	0	1
18120	libgromacs_mpi.so.7 - threefry.h:679-685,cmath:339-339,gammadistribution.h:260-272,normaldistribution.h:196-218,uniformrealdistribution.h:120-255	float gmx::GammaDistribution::operator() >(gmx::ThreeFry2x64<64u>&, gmx::GammaDistribution::param_type const&)	Outermost	0	0	0.00	0	0	0	0	0.00	0	0	0	0	0.00	0	0	3
3018	libgromacs_mpi.so.7 - prunekerneldispatch.cpp:68-88,clusterdistancekerneltype.h:66-89,stl_vector.h:1124-1124	L__ZN11PairlistSet19dispatchPruneKernelEPK16nbnxn_atomdata_tN3gmx8ArrayRefIKNS3_11BasicVectorIfEEEE_68__par_region0_2_0	InBetween	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	30
1969	libgromacs_mpi.so.7 - grid.cpp:1091-1093	Nbnxm::Grid::sortColumnsCpuGeometry(Nbnxm::GridSetData, int, gmx::ArrayRef, gmx::ArrayRef const>, nbnxn_atomdata_t, gmx::Range, gmx::ArrayRef)	Innermost	0	0	0.00	0	0	0	0	0.00	0	0	0	0	0.00	0	0	5
1894	libgromacs_mpi.so.7 - stl_algobase.h:921-922	std::vector >::_M_default_append(unsigned long)	Single	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	16
1599	libgromacs_mpi.so.7 - iterator_interface.hpp:166-459,stl_vector.h:1143-1143,atomdata.cpp:1282-1286,arrayref.h:85-85	nbnxn_atomdata_add_nbat_fshift_to_fshift(nbnxn_atomdata_t const&, gmx::ArrayRef >)	Innermost	0	0	0.00	0	0	0	0	0.01	0.01	0.03	0	0	0.00	0	0	31
21731	libgromacs_mpi.so.7 - stl_vector.h:1143-1143,pme_spread.cpp:523-702	_INTERNALae0e43be::reduce_threadgrid_overlap(gmx_pme_t const, pmegrids_t const, int, float, float, float*, int)	Outermost	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	31
21118	libgromacs_mpi.so.7 - stl_vector.h:988-1143,array:61-61,utilities.h:56-57,bitmask.h:136-136,threaded_force_buffer.h:110-110,listed_internal.h:74-74,manage_threading.cpp:351-367	setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&)	InBetween	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	26
18615	libgromacs_mpi.so.7 - vec.h:538-546,lincs.cpp:2635-2635	gmx::constrain_lincs(bool, t_inputrec const&, long, gmx::Lincs, gmx::ArrayRef, t_commrec const, gmx_multisim_t const, gmx::ArrayRefWithPadding const>, gmx::ArrayRefWithPadding >, gmx::ArrayRef >, float const () [3], t_pbc, bool, float, float, float, gmx::ArrayRef >, bool, float () [3], gmx::ConstraintVariable, t_nrnb, int, int*)	Single	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	10
17903	libgromacs_mpi.so.7 - vec.h:328-330,ishift.h:72-72,calcvir.cpp:57-120	_Z8calc_viriPA3_KfS1_PA3_fbS1#omp_region_0	Outermost	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	31
17865	libgromacs_mpi.so.7 - vector.tcc:114-114,stl_vector.h:378-1919,new_allocator.h:120-126,calc_verletbuf.cpp:162-187	_INTERNALc226143a::addAtomtype(std::vector >*, atom_nonbonded_kinetic_prop_t const&, int)	Outermost	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	8
5502	libgromacs_mpi.so.7 - vec.h:167-245,mshift.cpp:449-643,iterator_interface.hpp:459-459,stl_vector.h:1124-1124,arrayref.h:82-85,vectypes.h:222-222	_INTERNALd0075a52::mk_grey(gmx::ArrayRef, t_graph, int, int, float const () [3], float const () [3], int*)	Outermost	0	0	0.00	0	0	0	0	0.01	0.01	0.03	0	0	0.00	0	0	30
4074	libgromacs_mpi.so.7 - utility.h:88-96,stl_vector.h:988-1143,arrayref.h:82-82,partition.cpp:485-487	_ZN17_INTERNAL83cfe19115dd_set_atominfoEN3gmx8ArrayRefIKiEEiiP10t_forcerec..1	Outermost	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	20
3689	libgromacs_mpi.so.7 - domdec_constraints.cpp:540-545	dd_make_local_constraints(gmx_domdec_t, int, gmx_mtop_t const&, gmx::ArrayRef, gmx::Constraints, int, gmx::ArrayRef)	Outermost	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	18
2689	libgromacs_mpi.so.7 - new_allocator.h:175-175,stl_uninitialized.h:351-351	_INTERNALb293ce76::addNewIEntry(NbnxnPairlistCpu*, int, int, int)	Single	0	0	0.00	0	0	0	0	0.00	0	0	0	0	0.00	0	0	2
1566	libgromacs_mpi.so.7 - stl_algobase.h:383-387,arrayref.h:82-82	nbnxn_atomdata_copy_shiftvec(bool, gmx::ArrayRef >, nbnxn_atomdata_t*)	Single	0	0	0.00	0	0	0	0	0.00	0	0.01	0	0	0.00	0	0	12
5501	libgromacs_mpi.so.7 - mshift.cpp:712-712,vectypes.h:120-120	mk_mshift(_IO_FILE, t_graph, PbcType, float const () [3], float const () [3])	Single	0	0	0.00	0	0	0	0	0.00	0	0	0	0	0.00	0	0	30

Report Configuration

▼Colums Filter