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
1064	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:182-399,kernel_inner.h:201-330,kernel_outer.h:547-547,impl_x86_avx_512_util_float.h:97-371	nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	18.48	18.03	18.46	18.48	18.65	12.74	12.70	12.96	12.96	13.44	10.10	9.90	10.09	10.09	10.18	31
1062	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:182-399,kernel_inner.h:201-330,kernel_outer.h:565-565,impl_x86_avx_512_util_float.h:97-371	nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	6.97	6.84	6.92	6.92	7.01	9.42	8.96	9.40	9.41	9.90	3.81	3.74	3.78	3.78	3.86	31
15455	libgromacs_mpi.so.7 - fft5d.cpp:884-886	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	Innermost	5.61	5.49	5.67	5.66	5.97	3.65	3.54	3.71	3.69	4.02	3.07	3.00	3.10	3.09	3.29	31
15354	libgromacs_mpi.so.7 - pme_spread.cpp:635-641	spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone .extracted]	InBetween	4.26	4.16	4.29	4.29	4.34	2.56	2.48	2.59	2.58	2.73	2.33	2.30	2.34	2.35	2.37	31
15113	libgromacs_mpi.so.7 - impl_x86_avx_512_simd4_float.h:78-288,impl_x86_avx_512_simd_float.h:58-353,iterator_interface.hpp:305-305,vectypes.h:102-102,pme_gather.cpp:94-348,impl_x86_avx_512_util_float.h:480-493,stl_vector.h:1145-1145	gather_f_bsplines(gmx_pme_t const, float const, bool, PmeAtomComm const, splinedata_t const, float)	Outermost	3.85	3.74	3.81	3.82	3.87	2.62	2.55	2.67	2.65	2.79	2.10	2.06	2.09	2.09	2.11	31
1071	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:182-399,kernel_inner.h:201-330,kernel_outer.h:547-547,impl_x86_avx_512_util_float.h:97-371	nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	2.74	2.70	2.74	2.74	2.78	1.94	1.90	1.96	1.96	2.03	1.50	1.48	1.50	1.50	1.52	31
13345	libgromacs_mpi.so.7 - arrayref.h:82-82,lincs.cpp:270-287	gmx::lincs_matrix_expand(gmx::Lincs const&, gmx::Task const&, gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef)	InBetween	2.60	2.55	2.60	2.60	2.65	1.81	1.71	1.81	1.81	1.91	1.42	1.40	1.42	1.42	1.45	31
15382	libgromacs_mpi.so.7 - impl_x86_avx_512_simd4_float.h:56-267,iterator_interface.hpp:305-305,pme_simd4.h:61-148,pme_spread.cpp:358-400,stl_vector.h:1126-1145	spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone .extracted.11]	InBetween	1.75	1.69	1.74	1.74	1.78	1.30	1.18	1.25	1.24	1.31	0.96	0.92	0.95	0.95	0.97	31
15448	libgromacs_mpi.so.7 - fft5d.cpp:947-949	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	Innermost	1.70	1.62	1.69	1.69	1.73	1.04	1.02	1.06	1.04	1.12	0.93	0.90	0.92	0.92	0.95	31
1757	libgromacs_mpi.so.7 - bitmask.h:162-162,kernel_common.cpp:56-76	clearForceBuffer(nbnxn_atomdata_t*, int)	Single	1.53	1.39	1.52	1.54	1.62	1.26	1.10	1.21	1.21	1.37	0.84	0.76	0.83	0.84	0.89	31
15388	libgromacs_mpi.so.7 - pme_spread.cpp:277-975	spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone .extracted.11]	InBetween	1.41	1.38	1.43	1.43	1.49	1.03	0.98	1.05	1.05	1.15	0.77	0.75	0.78	0.78	0.82	31
1069	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:182-399,kernel_inner.h:201-330,kernel_outer.h:565-565,impl_x86_avx_512_util_float.h:97-371	nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	1.07	1.04	1.06	1.06	1.10	1.51	1.37	1.46	1.46	1.61	0.58	0.57	0.58	0.58	0.60	31
1065	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:71-462,kernel_inner.h:201-255,kernel_outer.h:541-541,impl_x86_avx_512_util_float.h:96-371,stl_vector.h:1145-1145	nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	0.93	0.90	0.92	0.93	0.95	0.74	0.69	0.72	0.72	0.77	0.51	0.49	0.50	0.51	0.52	31
15374	libgromacs_mpi.so.7 - pme_spread.cpp:441-447	spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone .extracted.11]	InBetween	0.86	0.72	0.81	0.84	0.90	0.58	0.53	0.59	0.61	0.65	0.47	0.39	0.44	0.46	0.49	31
13350	libgromacs_mpi.so.7 - arrayref.h:82-82,lincs.cpp:417-432,vectypes.h:122-122	gmx::lincs_update_atoms_ind(gmx::ArrayRef, gmx::ArrayRef, float, gmx::ArrayRef, gmx::ArrayRef const>, gmx::ArrayRef, float (*) [3])	Single	0.81	0.80	0.81	0.81	0.84	0.80	0.71	0.84	0.85	0.95	0.44	0.44	0.44	0.44	0.46	31
15406	libgromacs_mpi.so.7 - iterator_interface.hpp:305-305,pme_spread.cpp:104-145	spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone .extracted.18]	Innermost	0.81	0.76	0.80	0.81	0.83	0.61	0.51	0.56	0.56	0.61	0.44	0.41	0.44	0.44	0.45	31
13583	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:104-452,settle.cpp:423-423,impl_x86_avx_512_util_float.h:114-153,stl_vector.h:1263-1263	gmx::csettle(gmx::SettleData const&, int, int, t_pbc const, gmx::ArrayRefWithPadding const>, gmx::ArrayRefWithPadding >, float, gmx::ArrayRefWithPadding >, bool, float () [3], bool*)	Single	0.78	0.74	0.78	0.78	0.80	0.61	0.55	0.61	0.61	0.72	0.43	0.41	0.43	0.43	0.44	31
1063	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:71-462,kernel_inner.h:201-255,kernel_outer.h:559-559,impl_x86_avx_512_util_float.h:96-371,stl_vector.h:1145-1145	nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	0.73	0.68	0.72	0.72	0.75	1.03	0.89	0.98	0.99	1.08	0.40	0.37	0.39	0.39	0.41	31
15276	libgromacs_mpi.so.7 - pme_solve.cpp:555-561	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Innermost	0.71	0.66	0.70	0.70	0.72	0.49	0.43	0.48	0.48	0.54	0.39	0.37	0.38	0.38	0.39	31
1060	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:182-399,kernel_inner.h:201-330,kernel_outer.h:581-581,impl_x86_avx_512_util_float.h:97-371	nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	0.62	0.60	0.62	0.62	0.64	0.57	0.52	0.58	0.57	0.67	0.34	0.33	0.34	0.34	0.35	31
1059	libgromacs_mpi.so.7 - stl_iterator.h:1111-1244,impl_x86_avx_512_simd_float.h:58-462,kernel_inner.h:201-330,kernel_outer.h:333-595,impl_x86_avx_512_util_float.h:96-475,stl_vector.h:1145-1145	nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Outermost	0.60	0.57	0.59	0.59	0.61	0.59	0.52	0.59	0.59	0.69	0.33	0.31	0.32	0.32	0.33	31
14751	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:182-452,bonded.cpp:1151-1170,impl_x86_avx_512_util_float.h:69-292	std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::angles<(BondedKernelFlavor)0>(int, int const, t_iparams const, float const () [3], float () [4], float () [3], t_pbc const, float, float, gmx::ArrayRef, t_fcdata, t_disresdata, t_oriresdata, int*)	Single	0.57	0.54	0.58	0.58	0.60	0.48	0.46	0.53	0.52	0.62	0.31	0.30	0.31	0.31	0.33	31
15375	libgromacs_mpi.so.7 - pme_spread.cpp:445-447	spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone .extracted.11]	Innermost	0.56	0.51	0.59	0.54	0.70	0.45	0.38	0.46	0.45	0.55	0.31	0.28	0.32	0.30	0.38	31
14760	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:176-502,bonded.cpp:2066-2126,impl_x86_avx_512_util_float.h:114-114	std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::pdihs<(BondedKernelFlavor)0>(int, int const, t_iparams const, float const () [3], float () [4], float () [3], t_pbc const, float, float, gmx::ArrayRef, t_fcdata, t_disresdata, t_oriresdata, int*)	Single	0.56	0.55	0.57	0.57	0.58	0.40	0.38	0.42	0.42	0.44	0.31	0.30	0.31	0.31	0.32	31
1543	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:182-394,kernel_prune.cpp:109-149,impl_x86_avx_512_util_float.h:371-371	nbnxn_kernel_prune_2xnn(NbnxnPairlistCpu, nbnxn_atomdata_t const, gmx::ArrayRef const>, float)	Innermost	0.54	0.53	0.54	0.54	0.56	0.36	0.34	0.38	0.37	0.43	0.29	0.29	0.30	0.30	0.31	31
13719	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	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) [clone .extracted]	Single	0.48	0.44	0.48	0.48	0.52	0.34	0.31	0.35	0.34	0.40	0.26	0.24	0.26	0.26	0.28	31
1623	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:182-182,atomdata.cpp:1122-1124	nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]	Innermost	0.43	0.42	0.45	0.45	0.49	0.53	0.39	0.46	0.47	0.53	0.24	0.23	0.25	0.25	0.27	31
3185	libgromacs_mpi.so.7 - impl_x86_avx_512_simd4_float.h:129-201,impl_x86_avx_512_simd_float.h:104-394,pairlist.cpp:216-216,arrayref.h:82-82,pairlist_simd_2xmm.h:130-174,impl_x86_avx_512_util_float.h:371-371	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef, nbnxn_atomdata_t, gmx::ListOfLists const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.68]	Innermost	0.38	0.37	0.39	0.39	0.40	0.27	0.25	0.28	0.27	0.32	0.21	0.20	0.21	0.21	0.22	31
14979	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:182-452,arrayref.h:82-82,pairs.cpp:863-884,impl_x86_avx_512_util_float.h:69-292	void do_pairs_simple(int, int const, t_iparams const, float const () [3], float () [4], float const*, gmx::ArrayRef, float)	Single	0.37	0.36	0.38	0.38	0.40	0.27	0.24	0.28	0.28	0.31	0.20	0.20	0.21	0.21	0.22	31
4536	libgromacs_mpi.so.7 - stl_iterator.h:1244-1244,threaded_force_buffer.cpp:78-78,stl_algobase.h:931-931	gmx::ThreadForceBuffer::clearForcesAndEnergies()	Single	0.37	0.34	0.36	0.35	0.37	0.39	0.30	0.37	0.38	0.42	0.20	0.19	0.19	0.19	0.21	31
1626	libgromacs_mpi.so.7 - atomdata.cpp:1207-1211,bitmask.h:154-154,stl_vector.h:1258-1258	nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]	Innermost	0.36	0.35	0.39	0.39	0.43	0.27	0.25	0.30	0.29	0.35	0.19	0.19	0.21	0.21	0.23	31
13734	libgromacs_mpi.so.7 - iterator_interface.hpp:305-305,update.cpp:1637-1641	gmx::Update::Impl::finish_update(t_inputrec const&, bool, int, gmx::ArrayRef, t_state, gmx_wallcycle, bool) [clone .extracted]	Single	0.33	0.31	0.32	0.32	0.34	0.30	0.22	0.26	0.25	0.30	0.18	0.17	0.18	0.18	0.18	31
3180	libgromacs_mpi.so.7 - impl_x86_avx_512_simd4_float.h:129-201,impl_x86_avx_512_simd_float.h:104-394,grid.h:239-251,functions.h:321-321,unique_ptr.h:199-199,pairlist.cpp:152-3996,arrayref.h:78-82,new_allocator.h:187-187,bitmask.h:142-142,pairlist_simd_2xmm.h:130-242,impl_x86_avx_512_util_float.h:371-371,stl_algobase.h:931-931,stl_vector.h:990-1289	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef, nbnxn_atomdata_t, gmx::ListOfLists const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.68]	InBetween	0.32	0.29	0.31	0.31	0.33	0.24	0.21	0.23	0.23	0.29	0.18	0.16	0.17	0.17	0.18	31
13337	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:104-452,lincs.cpp:798-810,impl_x86_avx_512_util_float.h:114-153	gmx::do_lincs(gmx::ArrayRefWithPadding const>, gmx::ArrayRefWithPadding >, float const () [3], t_pbc, gmx::Lincs, int, gmx::ArrayRef, t_commrec const, bool, float, bool, float, gmx::ArrayRef >, bool, float () [3])	Single	0.31	0.29	0.31	0.31	0.33	0.25	0.22	0.27	0.27	0.30	0.17	0.16	0.17	0.17	0.18	31
1554	libgromacs_mpi.so.7 - atomdata.cpp:226-233	copy_rvec_to_nbat_real(int const, int, int, float const () [3], int, float*, int)	Single	0.28	0.27	0.29	0.29	0.32	0.39	0.31	0.37	0.37	0.42	0.16	0.15	0.16	0.16	0.18	31
87	gmx_mpi -	__intel_avx_rep_memcpy	Single	0.24	0.20	0.23	0.23	0.25	0.19	0.16	0.19	0.19	0.21	0.13	0.11	0.13	0.13	0.14	31
1624	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:182-182,atomdata.cpp:1122-1124	nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]	Innermost	0.22	0.20	0.22	0.22	0.25	0.31	0.25	0.31	0.31	0.37	0.12	0.11	0.12	0.12	0.14	31
15399	libgromacs_mpi.so.7 - pme_spread.cpp:172-174	spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone .extracted.18]	Innermost	0.19	0.18	0.19	0.19	0.21	0.16	0.14	0.16	0.16	0.22	0.11	0.10	0.11	0.11	0.11	31
3191	libgromacs_mpi.so.7 - pairlist.cpp:3407-3409	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef, nbnxn_atomdata_t, gmx::ListOfLists const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.68]	Innermost	0.18	0.18	0.19	0.19	0.20	0.14	0.14	0.15	0.15	0.17	0.10	0.10	0.10	0.11	0.11	31
13336	libgromacs_mpi.so.7 - arrayref.h:82-82,lincs.cpp:1087-1089,vectypes.h:122-179	gmx::do_lincs(gmx::ArrayRefWithPadding const>, gmx::ArrayRefWithPadding >, float const () [3], t_pbc, gmx::Lincs, int, gmx::ArrayRef, t_commrec const, bool, float, bool, float, gmx::ArrayRef >, bool, float () [3])	Innermost	0.18	0.16	0.19	0.19	0.20	0.19	0.15	0.18	0.18	0.22	0.10	0.09	0.10	0.10	0.11	31
1616	libgromacs_mpi.so.7 - atomdata.cpp:1173-1179,atomdata.h:102-102	reduceForces(nbnxn_atomdata_t, gmx::AtomLocality, Nbnxm::GridSet const&, float () [3]) [clone .extracted]	Innermost	0.18	0.16	0.18	0.18	0.20	0.16	0.13	0.16	0.15	0.18	0.10	0.09	0.10	0.10	0.11	31
13330	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:104-452,lincs.cpp:919-931,impl_x86_avx_512_util_float.h:114-114	gmx::do_lincs(gmx::ArrayRefWithPadding const>, gmx::ArrayRefWithPadding >, float const () [3], t_pbc, gmx::Lincs, int, gmx::ArrayRef, t_commrec const, bool, float, bool, float, gmx::ArrayRef >, bool, float () [3])	Innermost	0.17	0.16	0.17	0.17	0.17	0.16	0.13	0.17	0.17	0.21	0.09	0.09	0.09	0.09	0.10	31
4478	libgromacs_mpi.so.7 - vec.h:141-147,threaded_force_buffer.cpp:209-211	void gmx::(anonymous namespace)::reduceThreadForceBuffers(gmx::ArrayRef >, gmx::ArrayRef, std::default_delete > > >, gmx::ArrayRef const>, gmx::ArrayRef) [clone .extracted]	Innermost	0.15	0.13	0.15	0.15	0.17	0.16	0.13	0.16	0.16	0.20	0.08	0.07	0.08	0.08	0.09	31
15274	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:104-502,pme_solve.cpp:234-561	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Outermost	0.12	0.11	0.12	0.12	0.13	0.10	0.10	0.11	0.11	0.13	0.07	0.06	0.07	0.07	0.07	31
15454	libgromacs_mpi.so.7 - fft5d.cpp:884-886	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	Innermost	0.12	0.11	0.12	0.12	0.13	0.19	0.15	0.18	0.17	0.21	0.07	0.06	0.07	0.07	0.07	31
1072	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:71-462,kernel_inner.h:201-255,kernel_outer.h:541-541,impl_x86_avx_512_util_float.h:96-371,stl_vector.h:1145-1145	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	0.12	0.09	0.11	0.11	0.14	0.06	0.06	0.06	0.06	0.07	31
15190	libgromacs_mpi.so.7 - pme_grid.cpp:537-539	unwrap_periodic_pmegrid(gmx_pme_t, float) [clone .extracted]	Innermost	0.11	0.09	0.11	0.11	0.13	0.11	0.09	0.11	0.11	0.14	0.06	0.05	0.06	0.06	0.07	31
3184	libgromacs_mpi.so.7 - impl_x86_avx_512_simd4_float.h:129-201,impl_x86_avx_512_simd_float.h:104-394,pairlist.cpp:216-216,arrayref.h:82-82,pairlist_simd_2xmm.h:185-229,impl_x86_avx_512_util_float.h:371-371	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef, nbnxn_atomdata_t, gmx::ListOfLists const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.68]	Innermost	0.11	0.10	0.12	0.12	0.12	0.10	0.09	0.10	0.10	0.12	0.06	0.06	0.06	0.06	0.07	31
1070	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:71-462,kernel_inner.h:201-255,kernel_outer.h:559-559,impl_x86_avx_512_util_float.h:96-371,stl_vector.h:1145-1145	nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	0.10	0.09	0.10	0.10	0.11	0.13	0.13	0.16	0.15	0.19	0.06	0.05	0.06	0.06	0.06	31
4477	libgromacs_mpi.so.7 - vec.h:141-147,threaded_force_buffer.cpp:207-211	void gmx::(anonymous namespace)::reduceThreadForceBuffers(gmx::ArrayRef >, gmx::ArrayRef, std::default_delete > > >, gmx::ArrayRef const>, gmx::ArrayRef) [clone .extracted]	InBetween	0.10	0.09	0.10	0.10	0.11	0.10	0.07	0.10	0.09	0.13	0.05	0.05	0.05	0.05	0.06	31
4479	libgromacs_mpi.so.7 - vec.h:141-147,threaded_force_buffer.cpp:209-211	void gmx::(anonymous namespace)::reduceThreadForceBuffers(gmx::ArrayRef >, gmx::ArrayRef, std::default_delete > > >, gmx::ArrayRef const>, gmx::ArrayRef) [clone .extracted]	Innermost	0.10	0.09	0.10	0.10	0.11	0.13	0.11	0.13	0.13	0.17	0.05	0.05	0.05	0.05	0.06	31
3183	libgromacs_mpi.so.7 - grid.h:239-239,pairlist.cpp:152-934,new_allocator.h:187-187,pairlist_simd_2xmm.h:237-242,stl_vector.h:1280-1289	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef, nbnxn_atomdata_t, gmx::ListOfLists const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.68]	Innermost	0.10	0.08	0.10	0.10	0.11	0.09	0.07	0.09	0.09	0.12	0.05	0.04	0.05	0.05	0.06	31
1622	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:104-182,atomdata.cpp:1119-1124	nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]	InBetween	0.10	0.08	0.10	0.10	0.11	0.12	0.10	0.13	0.13	0.16	0.05	0.05	0.05	0.05	0.06	31
1066	libgromacs_mpi.so.7 - stl_iterator.h:1111-1244,impl_x86_avx_512_simd_float.h:58-462,kernel_inner.h:201-330,kernel_outer.h:333-603,impl_x86_avx_512_util_float.h:96-475,stl_vector.h:1145-1145	nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Outermost	0.09	0.09	0.09	0.09	0.10	0.12	0.09	0.10	0.10	0.14	0.05	0.05	0.05	0.05	0.06	31
13335	libgromacs_mpi.so.7 - arrayref.h:82-82,lincs.cpp:1085-1089,vectypes.h:122-179	gmx::do_lincs(gmx::ArrayRefWithPadding const>, gmx::ArrayRefWithPadding >, float const () [3], t_pbc, gmx::Lincs, int, gmx::ArrayRef, t_commrec const, bool, float, bool, float, gmx::ArrayRef >, bool, float () [3])	Outermost	0.09	0.08	0.09	0.09	0.10	0.08	0.07	0.10	0.09	0.13	0.05	0.04	0.05	0.05	0.05	31
13584	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:104-452,settle.cpp:423-423,impl_x86_avx_512_util_float.h:114-153,stl_vector.h:1263-1263	gmx::csettle(gmx::SettleData const&, int, int, t_pbc const, gmx::ArrayRefWithPadding const>, gmx::ArrayRefWithPadding >, float, gmx::ArrayRefWithPadding >, bool, float () [3], bool*)	Single	0.09	0.08	0.09	0.09	0.10	0.08	0.07	0.09	0.09	0.11	0.05	0.04	0.05	0.05	0.05	31
1067	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:182-399,kernel_inner.h:201-330,kernel_outer.h:581-581,impl_x86_avx_512_util_float.h:97-371	nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	0.09	0.08	0.08	0.08	0.09	0.10	0.08	0.10	0.09	0.13	0.05	0.04	0.05	0.05	0.05	31
14807	libgromacs_mpi.so.7 - vec.h:141-335,functions.h:321-321,bonded.cpp:445-1084	std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))\|\|(!(1)), float>::type (anonymous namespace)::angles<(BondedKernelFlavor)2>(int, int const, t_iparams const, float const () [3], float () [4], float () [3], t_pbc const, float, float, gmx::ArrayRef, t_fcdata, t_disresdata, t_oriresdata, int*)	Single	0.09	0.08	0.08	0.08	0.09	0.10	0.07	0.09	0.09	0.13	0.05	0.04	0.05	0.05	0.05	31
4482	libgromacs_mpi.so.7 - iterator_interface.hpp:305-305,unique_ptr.h:199-199,bitmask.h:154-154,array:203-203,threaded_force_buffer.cpp:182-186,stl_vector.h:1258-1258	void gmx::(anonymous namespace)::reduceThreadForceBuffers(gmx::ArrayRef >, gmx::ArrayRef, std::default_delete > > >, gmx::ArrayRef const>, gmx::ArrayRef) [clone .extracted]	Innermost	0.08	0.07	0.08	0.08	0.09	0.09	0.06	0.08	0.08	0.10	0.04	0.04	0.05	0.05	0.05	31
1061	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:71-399,kernel_inner.h:201-330,kernel_outer.h:575-578,impl_x86_avx_512_util_float.h:97-371,stl_vector.h:1145-1145	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	0.10	0.07	0.10	0.09	0.13	0.04	0.04	0.04	0.04	0.05	31
15394	libgromacs_mpi.so.7 - pme_spread.cpp:188-199,stl_vector.h:1126-1145	spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone .extracted.11]	InBetween	0.08	0.07	0.08	0.08	0.09	0.09	0.08	0.09	0.09	0.12	0.04	0.04	0.04	0.05	0.05	31
15279	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:104-502,pme_solve.cpp:234-234	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Innermost	0.07	0.07	0.08	0.08	0.08	0.07	0.06	0.08	0.08	0.09	0.04	0.04	0.04	0.04	0.05	31
1620	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:182-182,atomdata.cpp:1109-1111	nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]	Innermost	0.07	0.06	0.07	0.07	0.07	0.35	0.28	0.35	0.35	0.42	0.04	0.03	0.04	0.04	0.04	31
13718	libgromacs_mpi.so.7 - update.cpp:361-387	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) [clone .extracted]	Single	0.06	0.06	0.07	0.07	0.07	0.08	0.05	0.07	0.07	0.10	0.03	0.03	0.04	0.04	0.04	31
3176	libgromacs_mpi.so.7 - iterator_interface.hpp:459-459,pairlist.cpp:607-1420,arrayref.h:82-82	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef, nbnxn_atomdata_t, gmx::ListOfLists const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.68]	InBetween	0.06	0.06	0.06	0.06	0.06	0.06	0.05	0.07	0.07	0.07	0.03	0.03	0.03	0.03	0.04	31
14978	libgromacs_mpi.so.7 - vec.h:141-345,iterator_interface.hpp:459-459,unique_ptr.h:199-199,cmath:466-466,pairs.cpp:606-824,stl_vector.h:1258-1258	do_pairs(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, bool, gmx::StepWorkload const&, gmx_grppairener_t, int*)	Single	0.06	0.05	0.06	0.06	0.07	0.09	0.05	0.07	0.06	0.09	0.03	0.03	0.03	0.03	0.04	31
1621	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:182-182,atomdata.cpp:1109-1111	nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]	Innermost	0.05	0.05	0.06	0.06	0.06	0.25	0.22	0.28	0.28	0.36	0.03	0.03	0.03	0.03	0.04	31
13414	libgromacs_mpi.so.7 - vec.h:335-335,iterator_interface.hpp:305-305,md_support.cpp:139-157,vectypes.h:122-122	calc_ke_part_normal(gmx::ArrayRef const>, t_grpopts const, t_mdatoms const, gmx_ekindata_t, t_nrnb, bool) [clone .extracted]	Innermost	0.05	0.05	0.05	0.05	0.06	0.06	0.04	0.06	0.06	0.07	0.03	0.03	0.03	0.03	0.03	31
3161	libgromacs_mpi.so.7 - impl_x86_avx_512_simd4_float.h:129-201,stl_iterator.h:1077-1158,impl_x86_avx_512_simd_float.h:58-394,grid.h:239-299,iterator_interface.hpp:459-459,functions.h:321-321,unique_ptr.h:199-199,pairlist.cpp:152-3996,smalloc.h:370-377,arrayref.h:78-82,new_allocator.h:147-187,bitmask.h:142-142,stl_uninitialized.h:667-1126,gridset.h:168-168,ishift.h:59-60,stl_construct.h:119-119,pairlist_simd_2xmm.h:130-242,vector.tcc:637-707,listoflists.h:119-146,impl_x86_avx_512_util_float.h:371-376,stl_algobase.h:918-1128,stl_vector.h:378-1936	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef, nbnxn_atomdata_t, gmx::ListOfLists const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.68]	InBetween	0.05	0.04	0.05	0.05	0.06	0.06	0.05	0.06	0.06	0.10	0.03	0.02	0.03	0.03	0.03	31
3665	libgromacs_mpi.so.7 - idef.h:232-235,hashedmap.h:274-282,new_allocator.h:147-187,ga2la.h:112-126,stl_uninitialized.h:1114-1126,mtop_lookup.h:93-118,domdec_constraints.cpp:234-280,vector.tcc:469-523,stl_algobase.h:262-262,stl_vector.h:378-1936	dd_make_local_constraints(gmx_domdec_t, int, gmx_mtop_t const&, gmx::ArrayRef, gmx::Constraints, int, gmx::ArrayRef) [clone .extracted]	InBetween	0.05	0.04	0.05	0.05	0.06	0.06	0.05	0.06	0.06	0.09	0.03	0.02	0.03	0.03	0.03	31
3192	libgromacs_mpi.so.7 - pairlist.cpp:3392-3394	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef, nbnxn_atomdata_t, gmx::ListOfLists const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.68]	Innermost	0.05	0.04	0.05	0.05	0.05	0.05	0.04	0.05	0.05	0.06	0.02	0.02	0.02	0.02	0.03	31
15152	libgromacs_mpi.so.7 - pme_grid.cpp:395-404	copy_fftgrid_to_pmegrid(gmx_pme_t, float const, float*, int, int, int)	Outermost	0.05	0.04	0.04	0.04	0.05	0.05	0.04	0.05	0.05	0.07	0.02	0.02	0.02	0.02	0.03	31
14817	libgromacs_mpi.so.7 - bonded.cpp:1913-2008,cmath:428-428	std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))\|\|(!(1)), float>::type (anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const, t_iparams const, float const () [3], float () [4], float () [3], t_pbc const, float, float, gmx::ArrayRef, t_fcdata, t_disresdata, t_oriresdata, int*)	Innermost	0.04	0.04	0.05	0.05	0.06	0.05	0.05	0.06	0.06	0.07	0.02	0.02	0.03	0.03	0.03	31
15453	libgromacs_mpi.so.7 - fft5d.cpp:880-1166	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	InBetween	0.04	0.04	0.04	0.04	0.05	0.05	0.04	0.05	0.05	0.06	0.02	0.02	0.02	0.02	0.03	31
1618	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:104-182,atomdata.cpp:1053-1223,arrayref.h:82-82,bitmask.h:154-154,stl_vector.h:990-1258	nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]	InBetween	0.04	0.03	0.04	0.04	0.04	0.04	0.04	0.05	0.05	0.06	0.02	0.02	0.02	0.02	0.02	31
15286	libgromacs_mpi.so.7 - pme_solve.cpp:486-496	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Innermost	0.04	0.03	0.04	0.04	0.05	0.04	0.04	0.05	0.05	0.06	0.02	0.02	0.02	0.02	0.03	31
14761	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:104-502,bonded.cpp:2179-2256,impl_x86_avx_512_util_float.h:114-114	std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::rbdihs<(BondedKernelFlavor)0>(int, int const, t_iparams const, float const () [3], float () [4], float () [3], t_pbc const, float, float, gmx::ArrayRef, t_fcdata, t_disresdata, t_oriresdata, int*)	Outermost	0.04	0.03	0.04	0.04	0.04	0.13	0.10	0.13	0.13	0.17	0.02	0.02	0.02	0.02	0.02	31
15353	libgromacs_mpi.so.7 - pme_spread.cpp:633-641	spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone .extracted]	InBetween	0.04	0.03	0.03	0.03	0.04	0.05	0.04	0.06	0.05	0.07	0.02	0.02	0.02	0.02	0.02	31
15278	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:104-502,pme_solve.cpp:234-234	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Innermost	0.04	0.02	0.03	0.03	0.04	0.04	0.03	0.04	0.04	0.05	0.02	0.01	0.02	0.02	0.02	31
3801	libgromacs_mpi.so.7 - iterator_interface.hpp:459-459,arrayref.h:82-82,hashedmap.h:274-281,new_allocator.h:147-187,ga2la.h:112-114,stl_uninitialized.h:1114-1126,localtopology.cpp:748-750,vector.tcc:469-523,stl_algobase.h:262-262,stl_vector.h:378-1899	void 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	0.03	0.03	0.03	0.03	0.05	0.03	0.04	0.04	0.06	0.02	0.01	0.02	0.02	0.02	31
13621	libgromacs_mpi.so.7 - vec.h:141-147,sim_util.cpp:149-150	sum_forces(gmx::ArrayRef >, gmx::ArrayRef const>) [clone .extracted]	Single	0.03	0.02	0.03	0.03	0.03	0.04	0.03	0.05	0.04	0.06	0.02	0.01	0.02	0.02	0.02	31
3210	libgromacs_mpi.so.7 - pairlist.cpp:3624-3624,new_allocator.h:187-187,stl_vector.h:1280-1289	rebalanceSimpleLists(gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef) [clone .extracted]	Innermost	0.03	0.02	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
13332	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:104-198,lincs.cpp:1155-1155	gmx::do_lincs(gmx::ArrayRefWithPadding const>, gmx::ArrayRefWithPadding >, float const () [3], t_pbc, gmx::Lincs, int, gmx::ArrayRef, t_commrec const, bool, float, bool, float, gmx::ArrayRef >, bool, float () [3])	Innermost	0.02	0.02	0.03	0.03	0.04	0.03	0.03	0.05	0.04	0.07	0.01	0.01	0.02	0.02	0.02	31
14816	libgromacs_mpi.so.7 - bonded.cpp:1913-2011,cmath:428-428	std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))\|\|(!(1)), float>::type (anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const, t_iparams const, float const () [3], float () [4], float () [3], t_pbc const, float, float, gmx::ArrayRef, t_fcdata, t_disresdata, t_oriresdata, int*)	Outermost	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
15283	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	0.02	0.03	0.03	0.03	0.02	0.02	0.04	0.04	0.05	0.01	0.01	0.01	0.01	0.02	31
12783	libgromacs_mpi.so.7 - calcvir.cpp:61-67	calc_vir(int, float const () [3], float const () [3], float () [3], bool, float const () [3]) [clone .extracted]	Innermost	0.02	0.02	0.02	0.02	0.03	0.02	0.02	0.03	0.03	0.05	0.01	0.01	0.01	0.01	0.02	31
14762	libgromacs_mpi.so.7 - bonded.cpp:2185-2213	std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::rbdihs<(BondedKernelFlavor)0>(int, int const, t_iparams const, float const () [3], float () [4], float () [3], t_pbc const, float, float, gmx::ArrayRef, t_fcdata, t_disresdata, t_oriresdata, int*)	Innermost	0.02	0.02	0.02	0.02	0.03	0.07	0.05	0.08	0.07	0.10	0.01	0.01	0.01	0.01	0.01	31
3181	libgromacs_mpi.so.7 - pairlist.cpp:3008-3008,bitmask.h:142-142,stl_algobase.h:931-931	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef, nbnxn_atomdata_t, gmx::ListOfLists const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.68]	Innermost	0.02	0.01	0.02	0.02	0.02	0.04	0.02	0.03	0.03	0.04	0.01	0.01	0.01	0.01	0.01	31
4476	libgromacs_mpi.so.7 - vec.h:141-147,iterator_interface.hpp:305-305,unique_ptr.h:199-199,bitmask.h:154-154,array:203-203,threaded_force_buffer.cpp:170-211,stl_algobase.h:238-238,stl_vector.h:1258-1258	void gmx::(anonymous namespace)::reduceThreadForceBuffers(gmx::ArrayRef >, gmx::ArrayRef, std::default_delete > > >, gmx::ArrayRef const>, gmx::ArrayRef) [clone .extracted]	Outermost	0.02	0.02	0.02	0.02	0.02	0.04	0.02	0.03	0.03	0.04	0.01	0.01	0.01	0.01	0.01	31
1542	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:58-394,kernel_prune.cpp:76-158,vectypes.h:122-122,impl_x86_avx_512_util_float.h:371-376	nbnxn_kernel_prune_2xnn(NbnxnPairlistCpu, nbnxn_atomdata_t const, gmx::ArrayRef const>, float)	Outermost	0.02	0.01	0.02	0.02	0.02	0.04	0.02	0.03	0.03	0.07	0.01	0.01	0.01	0.01	0.01	31
3160	libgromacs_mpi.so.7 - impl_x86_avx_512_simd4_float.h:129-201,stl_iterator.h:1077-1158,impl_x86_avx_512_simd_float.h:58-394,grid.h:239-299,iterator_interface.hpp:459-459,functions.h:321-321,unique_ptr.h:199-199,pairlist.cpp:152-3996,smalloc.h:370-377,arrayref.h:78-82,new_allocator.h:147-187,bitmask.h:142-142,stl_uninitialized.h:667-1126,gridset.h:168-168,ishift.h:59-60,stl_construct.h:119-119,pairlist_simd_2xmm.h:130-242,vector.tcc:637-707,listoflists.h:119-146,impl_x86_avx_512_util_float.h:371-376,stl_algobase.h:918-1128,stl_vector.h:378-1936	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef, nbnxn_atomdata_t, gmx::ListOfLists const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.68]	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
14765	libgromacs_mpi.so.7 - bonded.cpp:196-2327	float (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	0.04	0.06	0.06	0.09	0.01	0.01	0.01	0.01	0.01	31
3177	libgromacs_mpi.so.7 - pairlist.cpp:607-1326	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef, nbnxn_atomdata_t, gmx::ListOfLists const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.68]	Innermost	0.02	0.01	0.02	0.02	0.02	0.03	0.02	0.03	0.03	0.05	0.01	0.01	0.01	0.01	0.01	31
3165	libgromacs_mpi.so.7 - pairlist.cpp:1991-1995,stl_vector.h:1126-1126	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef, nbnxn_atomdata_t, gmx::ListOfLists const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.68]	Innermost	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
13420	libgromacs_mpi.so.7 - iterator_interface.hpp:459-459,arrayref.h:260-260,cmath:466-2085,mtop_lookup.h:93-159,mdatoms.cpp:327-497,stl_vector.h:990-1145	atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef, int, gmx::MDAtoms*) [clone .extracted]	Outermost	0.02	0.02	0.02	0.02	0.03	0.02	0.02	0.03	0.03	0.04	0.01	0.01	0.01	0.01	0.01	31
15195	libgromacs_mpi.so.7 - pme_grid.cpp:520-522	unwrap_periodic_pmegrid(gmx_pme_t, float) [clone .extracted.30]	Innermost	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
15281	libgromacs_mpi.so.7 - pme_solve.cpp:534-543	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Innermost	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
15412	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	0.07	0.01	0.01	0.01	0.01	0.01	31
15285	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	0.01	0.02	0.02	0.02	0.03	0.01	0.03	0.03	0.04	0.01	0.01	0.01	0.01	0.01	31
3809	libgromacs_mpi.so.7 - arrayref.h:72-72,idef.h:242-247,hashedmap.h:274-281,ga2la.h:112-114,localtopology.cpp:416-576,stl_vector.h:990-1936	int 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	0.02	0.02	0.02	0.02	0.02	0.02	0.02	0.04	0.04	0.05	0.01	0.01	0.01	0.01	0.01	31
1625	libgromacs_mpi.so.7 - atomdata.cpp:1207-1211,bitmask.h:154-154,stl_vector.h:1258-1258	nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]	Innermost	0.02	0.02	0.02	0.02	0.02	0.02	0.02	0.03	0.03	0.05	0.01	0.01	0.01	0.01	0.01	31
15443	libgromacs_mpi.so.7 - stl_iterator.h:1077-1228,wallcycle.h:211-306,cyclecounter.h:182-188,fft5d.cpp:789-1407	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	Outermost	0.02	0.01	0.01	0.01	0.02	0.02	0.01	0.02	0.02	0.04	0.01	0.00	0.01	0.01	0.01	31
81	gmx_mpi -	quicksort	Innermost	0.02	0.01	0.01	0.01	0.02	0.02	0.02	0.02	0.02	0.04	0.01	0.00	0.01	0.01	0.01	31
15373	libgromacs_mpi.so.7 - pme_spread.cpp:439-447	spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone .extracted.11]	InBetween	0.02	0.01	0.01	0.01	0.02	0.02	0.01	0.02	0.02	0.03	0.01	0.00	0.01	0.01	0.01	31
3209	libgromacs_mpi.so.7 - pairlist.cpp:3624-3635,new_allocator.h:187-187,bitmask.h:142-142,array:277-277,stl_algobase.h:931-931,stl_vector.h:1280-1289	rebalanceSimpleLists(gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef) [clone .extracted]	Innermost	0.02	0.01	0.01	0.01	0.02	0.03	0.02	0.03	0.03	0.04	0.01	0.01	0.01	0.01	0.01	31
3175	libgromacs_mpi.so.7 - iterator_interface.hpp:459-459,pairlist.cpp:607-1420,arrayref.h:82-82,listoflists.h:145-146	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef, nbnxn_atomdata_t, gmx::ListOfLists const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.68]	InBetween	0.02	0.01	0.01	0.01	0.02	0.03	0.01	0.02	0.02	0.03	0.01	0.01	0.01	0.01	0.01	31
3179	libgromacs_mpi.so.7 - impl_x86_avx_512_simd4_float.h:129-201,impl_x86_avx_512_simd_float.h:104-394,grid.h:239-251,functions.h:321-321,unique_ptr.h:199-199,pairlist.cpp:152-3996,arrayref.h:78-82,new_allocator.h:187-187,bitmask.h:142-142,pairlist_simd_2xmm.h:130-242,impl_x86_avx_512_util_float.h:371-371,stl_algobase.h:931-931,stl_vector.h:990-1289	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef, nbnxn_atomdata_t, gmx::ListOfLists const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.68]	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
3167	libgromacs_mpi.so.7 - pairlist.cpp:1981-1985,stl_vector.h:1126-1126	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef, nbnxn_atomdata_t, gmx::ListOfLists const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.68]	Innermost	0.01	0.01	0.02	0.02	0.02	0.02	0.02	0.03	0.03	0.03	0.01	0.01	0.01	0.01	0.01	31
4480	libgromacs_mpi.so.7 - vec.h:141-147,threaded_force_buffer.cpp:200-200	void gmx::(anonymous namespace)::reduceThreadForceBuffers(gmx::ArrayRef >, gmx::ArrayRef, std::default_delete > > >, gmx::ArrayRef const>, gmx::ArrayRef) [clone .extracted]	Innermost	0.01	0.01	0.01	0.01	0.02	0.04	0.02	0.04	0.04	0.06	0.01	0.00	0.01	0.01	0.01	31
13366	libgromacs_mpi.so.7 - iterator_interface.hpp:305-305,lincs.cpp:1652-1658,new_allocator.h:147-187,bitmask.h:162-162,stl_uninitialized.h:1114-1126,vector.tcc:469-523,stl_algobase.h:262-262,stl_vector.h:378-1899	gmx::lincs_thread_setup(gmx::Lincs*, int) [clone .extracted.52]	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
3230	libgromacs_mpi.so.7 - stl_algobase.h:918-919	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	0.03	0.02	0.03	0.03	0.05	0.01	0.01	0.01	0.01	0.01	31
15372	libgromacs_mpi.so.7 - impl_x86_avx_512_simd4_float.h:56-267,iterator_interface.hpp:305-305,pme_simd4.h:61-153,arrayref.h:78-78,pme_spread.cpp:188-988,stl_vector.h:1126-1258	spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone .extracted.11]	Outermost	0.01	0.01	0.01	0.01	0.02	0.02	0.02	0.02	0.02	0.04	0.01	0.00	0.01	0.01	0.01	31
4541	libgromacs_mpi.so.7 - unique_ptr.h:199-199,bitmask.h:191-191,threaded_force_buffer.cpp:278-278,stl_vector.h:1263-1263	gmx::ThreadedForceBuffer::setupReduction()	Innermost	0.01	0.01	0.01	0.01	0.01	0.34	0.25	0.32	0.31	0.39	0.01	0.00	0.01	0.01	0.01	31
15170	libgromacs_mpi.so.7 - pme_grid.cpp:502-504	unwrap_periodic_pmegrid(gmx_pme_t, float)	Innermost	0.01	0.01	0.01	0.01	0.02	0.32	0.28	0.36	0.35	0.44	0.01	0.01	0.01	0.01	0.01	31
15352	libgromacs_mpi.so.7 - pme_spread.cpp:574-702,stl_vector.h:1145-1145	spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone .extracted]	InBetween	0.01	0.01	0.01	0.01	0.01	0.02	0.01	0.02	0.02	0.04	0.01	0.00	0.01	0.01	0.01	31
14818	libgromacs_mpi.so.7 - bonded.cpp:2960-3032,cmath:187-187	std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))\|\|(!(1)), float>::type (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	0.01	0.01	0.01	0.01	0.01	0.04	0.02	0.04	0.04	0.06	0.01	0.00	0.01	0.01	0.01	31
13334	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:104-198,lincs.cpp:1098-1098	gmx::do_lincs(gmx::ArrayRefWithPadding const>, gmx::ArrayRefWithPadding >, float const () [3], t_pbc, gmx::Lincs, int, gmx::ArrayRef, t_commrec const, bool, float, bool, float, gmx::ArrayRef >, bool, float () [3])	Single	0.01	0.01	0.01	0.01	0.01	0.02	0.01	0.02	0.02	0.03	0.01	0.00	0.00	0.00	0.01	31
15446	libgromacs_mpi.so.7 - fft5d.cpp:943-1166	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	InBetween	0.01	0.01	0.01	0.01	0.02	0.02	0.02	0.03	0.02	0.03	0.01	0.01	0.01	0.01	0.01	31
15413	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	0.02	0.01	0.02	0.02	0.03	0.01	0.00	0.01	0.01	0.01	31
1701	libgromacs_mpi.so.7 - grid.cpp:415-420	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	0.00	0.01	0.01	0.01	31
14939	libgromacs_mpi.so.7 - bitmask.h:136-136,threaded_force_buffer.h:110-110,array:203-203,manage_threading.cpp:365-367	setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&) [clone .extracted]	Innermost	0.01	0.01	0.01	0.01	0.01	0.02	0.01	0.02	0.02	0.04	0.01	0.00	0.01	0.01	0.01	31
4535	libgromacs_mpi.so.7 - stl_iterator.h:1244-1244,threaded_force_buffer.cpp:78-78,stl_algobase.h:931-931	gmx::ThreadForceBuffer::clearForcesAndEnergies()	Single	0.01	0.01	0.01	0.01	0.01	0.02	0.01	0.02	0.02	0.04	0.01	0.00	0.01	0.01	0.01	31
3793	libgromacs_mpi.so.7 - arrayref.h:85-85,range.h:84-88,stl_algo.h:574-579,localtopology.cpp:103-700,stl_vector.h:1145-1145	int 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	0.01	0.01	0.01	0.01	0.02	0.01	0.02	0.02	0.03	0.01	0.00	0.01	0.01	0.01	31
80	gmx_mpi -	quicksort	Outermost	0.01	0.01	0.01	0.01	0.01	0.02	0.01	0.02	0.02	0.03	0.01	0.00	0.01	0.01	0.01	31
13364	libgromacs_mpi.so.7 - stl_iterator.h:1111-1244,iterator_interface.hpp:305-305,lincs.cpp:1705-1715,bitmask.h:162-162,stl_vector.h:1126-1126	gmx::lincs_thread_setup(gmx::Lincs*, int) [clone .extracted]	Innermost	0.01	0.00	0.01	0.01	0.01	0.02	0.01	0.02	0.02	0.03	0.01	0.00	0.00	0.00	0.01	31
1068	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:71-399,kernel_inner.h:201-330,kernel_outer.h:575-578,impl_x86_avx_512_util_float.h:97-371,stl_vector.h:1145-1145	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	0.03	0.01	0.02	0.02	0.03	0.01	0.00	0.01	0.01	0.01	31
14925	libgromacs_mpi.so.7 - manage_threading.cpp:144-146	setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&)	Innermost	0.01	0.01	0.01	0.01	0.01	0.25	0.20	0.26	0.25	0.31	0.00	0.00	0.01	0.01	0.01	31
1619	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:104-182,atomdata.cpp:1106-1111	nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]	InBetween	0.01	0.01	0.01	0.01	0.01	0.06	0.03	0.05	0.04	0.06	0.00	0.00	0.00	0.00	0.01	31
3669	libgromacs_mpi.so.7 - hashedmap.h:274-282,ga2la.h:112-126,domdec_constraints.cpp:254-264,stl_vector.h:1145-1145	dd_make_local_constraints(gmx_domdec_t, int, gmx_mtop_t const&, gmx::ArrayRef, gmx::Constraints, int, gmx::ArrayRef) [clone .extracted]	InBetween	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.02	0.02	0.03	0.00	0.00	0.01	0.01	0.01	31
15397	libgromacs_mpi.so.7 - stl_iterator.h:1750-1750,iterator_interface.hpp:305-305,pme_internal.h:211-211,new_allocator.h:147-187,pme_spread.cpp:75-918,stl_uninitialized.h:351-754,vector.tcc:637-707,stl_vector.h:378-1936	spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone .extracted.18]	Outermost	0.01	0.00	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.02	0.00	0.00	0.00	0.00	0.00	31
13369	libgromacs_mpi.so.7 - lincs.cpp:1255-1324,stl_vector.h:1126-1126	gmx::set_lincs_matrix(gmx::Lincs*, gmx::ArrayRef, float) [clone .extracted]	InBetween	0.01	0.01	0.01	0.01	0.01	0.02	0.01	0.02	0.02	0.03	0.00	0.00	0.00	0.00	0.01	31
3812	libgromacs_mpi.so.7 - hashedmap.h:274-281,ga2la.h:112-112,localtopology.cpp:505-513,stl_vector.h:1145-1145	int 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	0.00	0.01	0.01	0.01	0.02	0.01	0.02	0.02	0.03	0.00	0.00	0.00	0.00	0.01	31
1704	libgromacs_mpi.so.7 - arrayref.h:82-82,vectypes.h:122-122,grid.cpp:329-407	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	0.00	0.00	0.00	0.00	0.01	31
1696	libgromacs_mpi.so.7 - grid.cpp:823-834	Nbnxm::Grid::fillCell(Nbnxm::GridSetData, nbnxn_atomdata_t, int, int, gmx::ArrayRef, gmx::ArrayRef const>, Nbnxm::BoundingBox*)	Innermost	0.01	0.00	0.01	0.01	0.01	0.02	0.01	0.02	0.02	0.03	0.00	0.00	0.00	0.00	0.00	31
14924	libgromacs_mpi.so.7 - manage_threading.cpp:125-162,stl_vector.h:990-990	setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&)	InBetween	0.01	0.01	0.01	0.01	0.01	0.20	0.18	0.23	0.23	0.28	0.00	0.00	0.00	0.00	0.01	31
13326	libgromacs_mpi.so.7 - lincs.cpp:1215-1223	gmx::do_lincs(gmx::ArrayRefWithPadding const>, gmx::ArrayRefWithPadding >, float const () [3], t_pbc, gmx::Lincs, int, gmx::ArrayRef, t_commrec const, bool, float, bool, float, gmx::ArrayRef >, bool, float () [3])	Single	0.01	0.01	0.01	0.01	0.01	0.02	0.01	0.02	0.02	0.02	0.00	0.00	0.00	0.00	0.01	31
15288	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:104-502,pme_solve.cpp:234-234	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Innermost	0.01	0.00	0.01	0.01	0.01	0.02	0.01	0.01	0.01	0.02	0.00	0.00	0.00	0.00	0.00	31
15189	libgromacs_mpi.so.7 - pme_grid.cpp:535-539	unwrap_periodic_pmegrid(gmx_pme_t, float) [clone .extracted]	InBetween	0.01	0.00	0.01	0.01	0.01	0.02	0.01	0.02	0.01	0.02	0.00	0.00	0.00	0.00	0.00	31
4523	libgromacs_mpi.so.7 - stl_iterator.h:1244-1244,threaded_force_buffer.cpp:122-122,stl_algobase.h:931-931	gmx::ThreadForceBuffer::resizeBufferAndClearMask(int)	Single	0.01	0.00	0.01	0.01	0.01	0.01	0.01	0.02	0.02	0.02	0.00	0.00	0.00	0.00	0.00	31
15289	libgromacs_mpi.so.7 - pme_solve.cpp:473-475	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Innermost	0.01	0.00	0.01	0.01	0.01	0.02	0.01	0.02	0.01	0.04	0.00	0.00	0.00	0.00	0.01	31
14914	libgromacs_mpi.so.7 - listed_forces.cpp:419-422,stl_iterator.h:1077-1228,utilities.h:56-57	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) [clone .extracted]	Innermost	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.02	0.01	0.02	0.00	0.00	0.00	0.00	0.01	31
1699	libgromacs_mpi.so.7 - arrayref.h:72-72,grid.cpp:1068-1087,stl_vector.h:1126-1126	Nbnxm::Grid::sortColumnsCpuGeometry(Nbnxm::GridSetData, int, gmx::ArrayRef, gmx::ArrayRef const>, nbnxn_atomdata_t, gmx::Range, gmx::ArrayRef)	Innermost	0.01	0.00	0.01	0.01	0.01	0.02	0.01	0.02	0.02	0.03	0.00	0.00	0.00	0.00	0.00	31
15395	libgromacs_mpi.so.7 - pme_spread.cpp:197-199	spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone .extracted.11]	Innermost	0.01	0.00	0.01	0.01	0.01	0.02	0.01	0.02	0.02	0.03	0.00	0.00	0.00	0.00	0.00	31
15351	libgromacs_mpi.so.7 - pme_spread.cpp:556-702,stl_algobase.h:238-238,stl_vector.h:1145-1145	spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone .extracted]	InBetween	0.01	0.00	0.01	0.01	0.01	0.03	0.01	0.02	0.02	0.03	0.00	0.00	0.00	0.00	0.00	31
3092	libgromacs_mpi.so.7 - pairlist.cpp:3543-3543,bitmask.h:191-191	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef, nbnxn_atomdata_t, gmx::ListOfLists const&, int, t_nrnb, SearchCycleCounting*)	Innermost	0.01	0.00	0.00	0.00	0.01	0.16	0.08	0.14	0.13	0.19	0.00	0.00	0.00	0.00	0.00	31
3193	libgromacs_mpi.so.7 - pairlist.cpp:279-283	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef, nbnxn_atomdata_t, gmx::ListOfLists const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.68]	Innermost	0.01	0.00	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.03	0.00	0.00	0.00	0.00	0.00	31
14915	libgromacs_mpi.so.7 - listed_forces.cpp:419-445,stl_iterator.h:1077-1228,arrayref.h:72-85,utilities.h:56-57	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) [clone .extracted]	InBetween	0.01	0.00	0.01	0.01	0.01	0.01	0.01	0.02	0.01	0.03	0.00	0.00	0.00	0.00	0.01	31
3811	libgromacs_mpi.so.7 - idef.h:245-247	int 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	0.01	0.00	0.00	0.00	0.01	0.01	0.01	0.01	0.01	0.02	0.00	0.00	0.00	0.00	0.00	31
3159	libgromacs_mpi.so.7 - impl_x86_avx_512_simd4_float.h:129-201,stl_iterator.h:1077-1158,impl_x86_avx_512_simd_float.h:58-394,grid.h:239-299,iterator_interface.hpp:459-459,functions.h:321-321,unique_ptr.h:199-199,pairlist.cpp:152-3996,smalloc.h:370-377,arrayref.h:78-82,new_allocator.h:147-187,bitmask.h:142-142,stl_uninitialized.h:667-1126,gridset.h:168-168,ishift.h:59-60,stl_construct.h:119-119,pairlist_simd_2xmm.h:130-242,vector.tcc:637-707,listoflists.h:119-146,impl_x86_avx_512_util_float.h:371-376,stl_algobase.h:918-1128,stl_vector.h:378-1936	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef, nbnxn_atomdata_t, gmx::ListOfLists const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.68]	InBetween	0.01	0.00	0.00	0.00	0.01	0.01	0.01	0.01	0.01	0.02	0.00	0.00	0.00	0.00	0.00	31
4078	libgromacs_mpi.so.7 - vec.h:141-198,redistribute.cpp:349-419	dd_redistribute_cg(_IO_FILE, long, gmx_domdec_t, int, t_state, t_forcerec, t_nrnb, int*) [clone .extracted]	InBetween	0.01	0.00	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.02	0.00	0.00	0.00	0.00	0.00	31
1612	libgromacs_mpi.so.7 - grid.h:262-266,atomdata.cpp:1006-1015,stl_vector.h:1145-1258	nbnxn_atomdata_copy_x_to_nbat_x(Nbnxm::GridSet const&, gmx::AtomLocality, float const () [3], nbnxn_atomdata_t) [clone .extracted]	Innermost	0.01	0.00	0.00	0.00	0.01	0.01	0.01	0.01	0.01	0.02	0.00	0.00	0.00	0.00	0.00	31
1709	libgromacs_mpi.so.7 - updategroupscog.h:116-116,vectypes.h:122-122,grid.cpp:1241-1311,stl_vector.h:1145-1145	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	0.00	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.02	0.00	0.00	0.00	0.00	0.00	31
1761	libgromacs_mpi.so.7 - kerneldispatch.cpp:114-373,stl_iterator.h:1077-1077,arrayref.h:82-82,stl_algobase.h:930-931,stl_vector.h:990-1258	nbnxn_kernel_cpu(PairlistSet const&, Nbnxm::KernelSetup const&, nbnxn_atomdata_t, interaction_const_t const&, gmx::ArrayRef const>, gmx::StepWorkload const&, int, float, float, gmx_wallcycle) [clone .extracted]	Outermost	0.01	0.00	0.01	0.01	0.01	0.02	0.01	0.02	0.02	0.03	0.00	0.00	0.00	0.00	0.01	31
3162	libgromacs_mpi.so.7 - pairlist.cpp:1998-2000	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef, nbnxn_atomdata_t, gmx::ListOfLists const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.68]	Innermost	0.01	0.00	0.00	0.00	0.01	0.01	0.00	0.01	0.01	0.01	0.00	0.00	0.00	0.00	0.00	31
3647	libgromacs_mpi.so.7 - iterator_interface.hpp:459-459,arrayref.h:82-82,idef.h:232-235,constr.h:287-287,hashedmap.h:274-282,new_allocator.h:147-187,ga2la.h:112-126,stl_uninitialized.h:1114-1126,domdec_constraints.cpp:338-375,vector.tcc:114-523,stl_algobase.h:262-262,stl_vector.h:378-1936	atoms_to_constraints(gmx_domdec_t, gmx_mtop_t const&, gmx::ArrayRef, gmx::ArrayRef const>, int, InteractionList, std::vector >*)	InBetween	0.01	0.00	0.01	0.00	0.01	0.14	0.08	0.14	0.14	0.19	0.00	0.00	0.00	0.00	0.00	31
3158	libgromacs_mpi.so.7 - impl_x86_avx_512_simd4_float.h:129-201,stl_iterator.h:1077-1158,impl_x86_avx_512_simd_float.h:58-394,grid.h:239-299,iterator_interface.hpp:459-459,functions.h:321-321,unique_ptr.h:199-199,pairlist.cpp:152-3996,smalloc.h:370-377,arrayref.h:78-82,new_allocator.h:147-187,bitmask.h:142-142,stl_uninitialized.h:667-1126,gridset.h:168-168,ishift.h:59-60,stl_construct.h:119-119,pairlist_simd_2xmm.h:63-242,vector.tcc:637-707,listoflists.h:119-146,impl_x86_avx_512_util_float.h:371-376,stl_algobase.h:918-1128,stl_vector.h:378-1936	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef, nbnxn_atomdata_t, gmx::ListOfLists const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.68]	InBetween	0.00	0.00	0.00	0.00	0.01	0.01	0.00	0.01	0.01	0.02	0.00	0.00	0.00	0.00	0.00	31
15293	libgromacs_mpi.so.7 - pme_solve.cpp:441-454	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Innermost	0.00	0.00	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.02	0.00	0.00	0.00	0.00	0.00	31
3196	libgromacs_mpi.so.7 - pairlist.cpp:272-276	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef, nbnxn_atomdata_t, gmx::ListOfLists const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.68]	Innermost	0.00	0.00	0.00	0.01	0.01	0.01	0.00	0.01	0.01	0.02	0.00	0.00	0.00	0.00	0.00	31
3797	libgromacs_mpi.so.7 - iterator_interface.hpp:305-459,predefined_ops.h:270-270,arrayref.h:82-260,hashedmap.h:274-282,new_allocator.h:147-187,ga2la.h:112-114,stl_uninitialized.h:1114-1126,localtopology.cpp:737-787,vector.tcc:469-523,listoflists.h:145-146,stl_algobase.h:262-2102,stl_vector.h:378-1899	void 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)	Outermost	0.00	0.00	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.03	0.00	0.00	0.00	0.00	0.00	31
3976	libgromacs_mpi.so.7 - hashedmap.h:229-255,ga2la.h:99-101,partition.cpp:643-645,stl_vector.h:1126-1126	gmx::dd_partition_system(_IO_FILE, gmx::MDLogger const&, long, t_commrec const, bool, int, t_state, gmx_mtop_t const&, t_inputrec const&, gmx::ImdSession, pull_t, t_state, gmx::ForceBuffers, gmx::MDAtoms, gmx_localtop_t, t_forcerec, gmx::VirtualSitesHandler, gmx::Constraints, t_nrnb, gmx_wallcycle, bool)	Outermost	0.00	0.00	0.00	0.00	0.01	0.13	0.07	0.13	0.13	0.16	0.00	0.00	0.00	0.00	0.00	31
3645	libgromacs_mpi.so.7 - iterator_interface.hpp:459-459,arrayref.h:82-82,idef.h:232-235,constr.h:287-287,hashedmap.h:274-282,new_allocator.h:147-187,ga2la.h:112-126,stl_uninitialized.h:1114-1126,mtop_lookup.h:93-106,domdec_constraints.cpp:314-375,vector.tcc:114-523,listoflists.h:145-146,stl_algobase.h:262-262,stl_vector.h:378-1936	atoms_to_constraints(gmx_domdec_t, gmx_mtop_t const&, gmx::ArrayRef, gmx::ArrayRef const>, int, InteractionList, std::vector >*)	Outermost	0.00	0.00	0.00	0.00	0.01	0.13	0.09	0.13	0.13	0.20	0.00	0.00	0.00	0.00	0.00	31
12730	libgromacs_mpi.so.7 - functions.h:321-321,std_abs.h:76-76,cmath:466-466,calc_verletbuf.cpp:482-721	calcVerletBufferSize(gmx_mtop_t const&, float, t_inputrec const&, int, int, float, VerletbufListSetup const&)	Innermost	0.00	0.00	0.01	0.01	0.01	0.13	0.11	0.15	0.14	0.19	0.00	0.00	0.00	0.00	0.00	31
15452	libgromacs_mpi.so.7 - fft5d.cpp:876-1166	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	InBetween	0.00	0.00	0.00	0.00	0.01	0.02	0.01	0.01	0.01	0.02	0.00	0.00	0.00	0.00	0.00	31
13329	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:104-452,commrec.h:171-171,arrayref.h:72-72,lincs.cpp:798-1173,arrayrefwithpadding.h:155-155,impl_x86_avx_512_util_float.h:114-114,stl_vector.h:1126-1126	gmx::do_lincs(gmx::ArrayRefWithPadding const>, gmx::ArrayRefWithPadding >, float const () [3], t_pbc, gmx::Lincs, int, gmx::ArrayRef, t_commrec const, bool, float, bool, float, gmx::ArrayRef >, bool, float () [3])	Outermost	0.00	0.00	0.00	0.00	0.01	0.02	0.01	0.01	0.01	0.02	0.00	0.00	0.00	0.00	0.00	31
15447	libgromacs_mpi.so.7 - fft5d.cpp:947-949	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	Innermost	0.00	0.00	0.00	0.00	0.01	0.01	0.01	0.01	0.01	0.02	0.00	0.00	0.00	0.00	0.00	31
4076	libgromacs_mpi.so.7 - vec.h:141-205,redistribute.cpp:74-428,vectypes.h:122-122	dd_redistribute_cg(_IO_FILE, long, gmx_domdec_t, int, t_state, t_forcerec, t_nrnb, int*) [clone .extracted]	Outermost	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.01	0.02	0.00	0.00	0.00	0.00	0.00	31
15099	libgromacs_mpi.so.7 - pme.cpp:1401-1411	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&) [clone .extracted.87]	Single	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.01	0.01	0.00	0.00	0.00	0.00	0.00	31
4553	libgromacs_mpi.so.7 - unique_ptr.h:199-199,threaded_force_buffer.cpp:365-367,stl_vector.h:1258-1258	gmx::ThreadedForceBuffer::reduce(gmx::ForceWithShiftForces, float, gmx_grppairener_t*, gmx::ArrayRef, gmx::StepWorkload const&, int)	Innermost	0.00	0.00	0.00	0.00	0.00	0.10	0.05	0.09	0.09	0.13	0.00	0.00	0.00	0.00	0.00	31
15291	libgromacs_mpi.so.7 - pme_solve.cpp:457-470	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Innermost	0.00	0.00	0.00	0.00	0.01	0.01	0.01	0.01	0.01	0.02	0.00	0.00	0.00	0.00	0.00	31
13352	libgromacs_mpi.so.7 - stl_iterator.h:1077-1337,iterator_interface.hpp:459-459,predefined_ops.h:45-98,lincs.cpp:1936-2210,bit:200-200,stl_algo.h:1796-1948,listoflists.h:145-146,stl_algobase.h:423-749,stl_vector.h:1126-1263	gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef, float, bool, t_commrec const, gmx::Lincs) [clone .extracted]	InBetween	0.00	0.00	0.00	0.01	0.01	0.01	0.00	0.01	0.01	0.02	0.00	0.00	0.00	0.00	0.00	31
12829	libgromacs_mpi.so.7 - vec.h:328-328,unique_ptr.h:199-199,move.h:198-198,constr.cpp:587-607,arrayrefwithpadding.h:108-165	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) [clone .extracted.70]	Single	0.00	0.00	0.00	0.00	0.00	0.01	0.01	0.01	0.01	0.02	0.00	0.00	0.00	0.00	0.00	31
4007	libgromacs_mpi.so.7 - hashedmap.h:144-204,new_allocator.h:147-187,ga2la.h:84-88,stl_uninitialized.h:1114-1126,partition.cpp:525-536,vector.tcc:469-523,stl_algobase.h:262-262,stl_vector.h:378-1936	make_dd_indices(gmx_domdec_t*, int)	InBetween	0.00	0.00	0.00	0.00	0.01	0.10	0.08	0.12	0.12	0.15	0.00	0.00	0.00	0.00	0.00	31
3195	libgromacs_mpi.so.7 - pairlist.cpp:281-283	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef, nbnxn_atomdata_t, gmx::ListOfLists const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.68]	Innermost	0.00	0.00	0.00	0.00	0.01	0.01	0.01	0.01	0.01	0.01	0.00	0.00	0.00	0.00	0.00	31
15445	libgromacs_mpi.so.7 - fft5d.cpp:939-1166	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	InBetween	0.00	0.00	0.00	0.00	0.01	0.01	0.01	0.01	0.01	0.02	0.00	0.00	0.00	0.00	0.00	31
4089	libgromacs_mpi.so.7 - reversetopology.cpp:140-145	globalAtomIndexToMoltypeIndices(gmx::ArrayRef, int)	Single	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.01	0.01	0.00	0.00	0.00	0.00	0.00	31
3208	libgromacs_mpi.so.7 - stl_iterator.h:1077-1077,pairlist.cpp:3613-3728,new_allocator.h:187-187,bitmask.h:142-142,array:277-277,stl_algobase.h:931-931,stl_vector.h:990-1289	rebalanceSimpleLists(gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef) [clone .extracted]	InBetween	0.00	0.00	0.00	0.00	0.01	0.01	0.01	0.01	0.01	0.02	0.00	0.00	0.00	0.00	0.00	31
13344	libgromacs_mpi.so.7 - iterator_interface.hpp:305-305,arrayref.h:82-82,lincs.cpp:270-287,move.h:198-199	gmx::lincs_matrix_expand(gmx::Lincs const&, gmx::Task const&, gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef)	Outermost	0.00	0.00	0.00	0.00	0.01	0.01	0.00	0.01	0.01	0.02	0.00	0.00	0.00	0.00	0.00	31
4524	libgromacs_mpi.so.7 - new_allocator.h:147-187,bitmask.h:154-154,stl_uninitialized.h:1114-1126,vector.tcc:469-523,threaded_force_buffer.cpp:133-135,stl_algobase.h:262-262,stl_vector.h:378-1899	gmx::ThreadForceBuffer::processMask()	Single	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.01	0.02	0.00	0.00	0.00	0.00	0.00	31
15287	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:104-502,pme_solve.cpp:234-234	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Innermost	0.00	0.00	0.00	0.00	0.01	0.01	0.01	0.01	0.01	0.02	0.00	0.00	0.00	0.00	0.00	31
14938	libgromacs_mpi.so.7 - bitmask.h:136-136,threaded_force_buffer.h:110-110,array:203-203,manage_threading.cpp:363-367,stl_vector.h:1126-1126	setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&) [clone .extracted]	InBetween	0.00	0.00	0.00	0.00	0.01	0.01	0.00	0.01	0.01	0.02	0.00	0.00	0.00	0.00	0.00	31
14913	libgromacs_mpi.so.7 - listed_forces.cpp:385-445,stl_iterator.h:1077-1228,unique_ptr.h:199-199,enumerationhelpers.h:279-279,arrayref.h:72-180,utilities.h:56-57,threaded_force_buffer.h:149-149,stl_vector.h:1126-1258	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) [clone .extracted]	Outermost	0.00	0.00	0.00	0.00	0.01	0.01	0.00	0.01	0.01	0.01	0.00	0.00	0.00	0.00	0.00	31
3899	libgromacs_mpi.so.7 - arrayref.h:82-82,partition.cpp:2517-2519	gmx::dd_partition_system(_IO_FILE, gmx::MDLogger const&, long, t_commrec const, bool, int, t_state, gmx_mtop_t const&, t_inputrec const&, gmx::ImdSession, pull_t, t_state, gmx::ForceBuffers, gmx::MDAtoms, gmx_localtop_t, t_forcerec, gmx::VirtualSitesHandler, gmx::Constraints, t_nrnb, gmx_wallcycle, bool)	Innermost	0.00	0.00	0.00	0.00	0.00	0.08	0.03	0.06	0.06	0.10	0.00	0.00	0.00	0.00	0.00	31
13328	libgromacs_mpi.so.7 - lincs.cpp:1193-1195	gmx::do_lincs(gmx::ArrayRefWithPadding const>, gmx::ArrayRefWithPadding >, float const () [3], t_pbc, gmx::Lincs, int, gmx::ArrayRef, t_commrec const, bool, float, bool, float, gmx::ArrayRef >, bool, float () [3])	Single	0.00	0.00	0.00	0.00	0.00	0.02	0.00	0.01	0.01	0.02	0.00	0.00	0.00	0.00	0.00	31
13361	libgromacs_mpi.so.7 - iterator_interface.hpp:459-459,lincs.cpp:1942-1947,stl_vector.h:1126-1126	gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef, float, bool, t_commrec const, gmx::Lincs) [clone .extracted]	Innermost	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.01	0.01	0.00	0.00	0.00	0.00	0.00	31
1611	libgromacs_mpi.so.7 - grid.h:233-266,atomdata.cpp:998-1015,stl_vector.h:1145-1263	nbnxn_atomdata_copy_x_to_nbat_x(Nbnxm::GridSet const&, gmx::AtomLocality, float const () [3], nbnxn_atomdata_t) [clone .extracted]	InBetween	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.01	0.02	0.00	0.00	0.00	0.00	0.00	31
13866	libgromacs_mpi.so.7 - vec.h:419-421,iterator_interface.hpp:305-305,vcm.cpp:143-215,vectypes.h:122-122	calc_vcm_grp(t_mdatoms const&, gmx::ArrayRef const>, gmx::ArrayRef const>, t_vcm*) [clone .extracted]	Single	0.00	0.00	0.00	0.00	0.00	0.01	0.01	0.01	0.01	0.02	0.00	0.00	0.00	0.00	0.00	31
3883	libgromacs_mpi.so.7 - arrayref.h:82-82,partition.cpp:2517-2519	gmx::dd_partition_system(_IO_FILE, gmx::MDLogger const&, long, t_commrec const, bool, int, t_state, gmx_mtop_t const&, t_inputrec const&, gmx::ImdSession, pull_t, t_state, gmx::ForceBuffers, gmx::MDAtoms, gmx_localtop_t, t_forcerec, gmx::VirtualSitesHandler, gmx::Constraints, t_nrnb, gmx_wallcycle, bool)	Innermost	0.00	0.00	0.00	0.00	0.00	0.07	0.02	0.04	0.04	0.07	0.00	0.00	0.00	0.00	0.00	31
15349	libgromacs_mpi.so.7 - pme_spread.cpp:477-1011,stl_algobase.h:238-262,stl_vector.h:1145-1263	spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone .extracted]	Outermost	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.01	0.01	0.00	0.00	0.00	0.00	0.00	31
15350	libgromacs_mpi.so.7 - pme_spread.cpp:538-702,stl_algobase.h:238-238,stl_vector.h:1145-1145	spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone .extracted]	InBetween	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.01	0.02	0.00	0.00	0.00	0.00	0.00	31
1721	libgromacs_mpi.so.7 - grid.h:262-262,range.h:84-84,grid.cpp:1462-1466	Nbnxm::Grid::setCellIndices(int, int, Nbnxm::GridSetData, gmx::ArrayRef, gmx::Range, gmx::ArrayRef, gmx::ArrayRef const>, int, nbnxn_atomdata_t)	Single	0.00	0.00	0.00	0.00	0.00	0.06	0.03	0.06	0.06	0.09	0.00	0.00	0.00	0.00	0.00	31
1586	libgromacs_mpi.so.7 - atomdata.cpp:685-691	nbnxn_atomdata_set(nbnxn_atomdata_t*, Nbnxm::GridSet const&, gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef)	Innermost	0.00	0.00	0.00	0.00	0.00	0.06	0.01	0.03	0.03	0.06	0.00	0.00	0.00	0.00	0.00	31
3887	libgromacs_mpi.so.7 - arrayref.h:82-82,partition.cpp:2517-2519	gmx::dd_partition_system(_IO_FILE, gmx::MDLogger const&, long, t_commrec const, bool, int, t_state, gmx_mtop_t const&, t_inputrec const&, gmx::ImdSession, pull_t, t_state, gmx::ForceBuffers, gmx::MDAtoms, gmx_localtop_t, t_forcerec, gmx::VirtualSitesHandler, gmx::Constraints, t_nrnb, gmx_wallcycle, bool)	Innermost	0.00	0.00	0.00	0.00	0.00	0.06	0.02	0.04	0.04	0.08	0.00	0.00	0.00	0.00	0.00	31
13296	libgromacs_mpi.so.7 - iterator_interface.hpp:459-459,arrayref.h:82-82,lincs.cpp:1773-2151,listoflists.h:145-146,stl_vector.h:1126-1263	gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef, float, bool, t_commrec const, gmx::Lincs)	InBetween	0.00	0.00	0.00	0.00	0.00	0.05	0.03	0.07	0.07	0.11	0.00	0.00	0.00	0.00	0.00	31
3895	libgromacs_mpi.so.7 - arrayref.h:82-82,partition.cpp:2517-2519	gmx::dd_partition_system(_IO_FILE, gmx::MDLogger const&, long, t_commrec const, bool, int, t_state, gmx_mtop_t const&, t_inputrec const&, gmx::ImdSession, pull_t, t_state, gmx::ForceBuffers, gmx::MDAtoms, gmx_localtop_t, t_forcerec, gmx::VirtualSitesHandler, gmx::Constraints, t_nrnb, gmx_wallcycle, bool)	Innermost	0.00	0.00	0.00	0.00	0.00	0.05	0.03	0.07	0.08	0.11	0.00	0.00	0.00	0.00	0.00	31
3194	libgromacs_mpi.so.7 - pairlist.cpp:272-276	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef, nbnxn_atomdata_t, gmx::ListOfLists const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.68]	Innermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.01	0.01	0.00	0.00	0.00	0.00	0.00	31
15401	libgromacs_mpi.so.7 - pme_spread.cpp:165-167	spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone .extracted.18]	Innermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.01	0.01	0.00	0.00	0.00	0.00	0.00	31
15444	libgromacs_mpi.so.7 - fft5d.cpp:918-1391	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	InBetween	0.00	0.00	0.00	0.00	0.01	0.00	0.00	0.01	0.01	0.01	0.00	0.00	0.00	0.00	0.00	31
4851	libgromacs_mpi.so.7 - pbc_simd.cpp:59-61	set_pbc_simd(t_pbc const, float)	Single	0.00	0.00	0.00	0.00	0.01	0.00	0.00	0.01	0.01	0.01	0.00	0.00	0.00	0.00	0.00	31
3902	libgromacs_mpi.so.7 - iterator_interface.hpp:459-459,partition.cpp:2552-2557	gmx::dd_partition_system(_IO_FILE, gmx::MDLogger const&, long, t_commrec const, bool, int, t_state, gmx_mtop_t const&, t_inputrec const&, gmx::ImdSession, pull_t, t_state, gmx::ForceBuffers, gmx::MDAtoms, gmx_localtop_t, t_forcerec, gmx::VirtualSitesHandler, gmx::Constraints, t_nrnb, gmx_wallcycle, bool)	Innermost	0.00	0.00	0.00	0.00	0.00	0.05	0.00	0.03	0.03	0.06	0.00	0.00	0.00	0.00	0.00	31
3178	libgromacs_mpi.so.7 - pairlist.cpp:1252-1255	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef, nbnxn_atomdata_t, gmx::ListOfLists const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.68]	Innermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.01	0.01	0.00	0.00	0.00	0.00	0.00	31
13287	libgromacs_mpi.so.7 - iterator_interface.hpp:459-459,lincs.cpp:1614-1614,stl_algobase.h:931-931	gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef, float, bool, t_commrec const, gmx::Lincs)	Single	0.00	0.00	0.00	0.00	0.00	0.04	0.01	0.04	0.04	0.06	0.00	0.00	0.00	0.00	0.00	31
3168	libgromacs_mpi.so.7 - stl_algobase.h:918-919	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef, nbnxn_atomdata_t, gmx::ListOfLists const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.68]	Innermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	31
1693	libgromacs_mpi.so.7 - grid.cpp:816-889	Nbnxm::Grid::fillCell(Nbnxm::GridSetData, nbnxn_atomdata_t, int, int, gmx::ArrayRef, gmx::ArrayRef const>, Nbnxm::BoundingBox*)	Outermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.01	0.01	0.00	0.00	0.00	0.00	0.00	31
3832	libgromacs_mpi.so.7 - stl_algobase.h:386-388	void std::vector >::_M_range_insert >(__gnu_cxx::__normal_iterator > >, gmx::ArrayRefIter, gmx::ArrayRefIter, std::forward_iterator_tag)	Single	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.01	0.01	0.00	0.00	0.00	0.00	0.00	31
14821	libgromacs_mpi.so.7 - bonded.cpp:196-2327	float (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	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.01	0.03	0.00	0.00	0.00	0.00	0.00	31
13362	libgromacs_mpi.so.7 - iterator_interface.hpp:459-459,lincs.cpp:1942-1947,stl_vector.h:1126-1126	gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef, float, bool, t_commrec const, gmx::Lincs) [clone .extracted]	Innermost	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	31
13359	libgromacs_mpi.so.7 - iterator_interface.hpp:459-459,lincs.cpp:1950-1955,stl_vector.h:1126-1126	gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef, float, bool, t_commrec const, gmx::Lincs) [clone .extracted]	Innermost	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.01	0.01	0.00	0.00	0.00	0.00	0.00	31
12741	libgromacs_mpi.so.7 - calc_verletbuf.cpp:162-176	getVerletBufferAtomtypes(gmx_mtop_t const&, bool, bool)	Innermost	0.00	0.00	0.00	0.00	0.00	0.04	0.00	0.02	0.02	0.04	0.00	0.00	0.00	0.00	0.00	31
3794	libgromacs_mpi.so.7 - stl_algo.h:574-579,localtopology.cpp:103-103	int 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&)	Innermost	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.01	0.01	0.00	0.00	0.00	0.00	0.00	31
13368	libgromacs_mpi.so.7 - lincs.cpp:1251-1324,stl_vector.h:1126-1126	gmx::set_lincs_matrix(gmx::Lincs*, gmx::ArrayRef, float) [clone .extracted]	InBetween	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	31
88	gmx_mpi -	__intel_avx_rep_memset	Single	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.01	0.02	0.00	0.00	0.00	0.00	0.00	31
13285	libgromacs_mpi.so.7 - lincs.cpp:1629-1632,bitmask.h:136-136,array:203-203	gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef, float, bool, t_commrec const, gmx::Lincs)	Innermost	0.00	0.00	0.00	0.00	0.00	0.03	0.01	0.03	0.03	0.06	0.00	0.00	0.00	0.00	0.00	31
13282	libgromacs_mpi.so.7 - iterator_interface.hpp:459-459,lincs.cpp:1678-1678,stl_algobase.h:931-931	gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef, float, bool, t_commrec const, gmx::Lincs)	Single	0.00	0.00	0.00	0.00	0.00	0.03	0.01	0.03	0.03	0.05	0.00	0.00	0.00	0.00	0.00	31
15642	libgromacs_mpi.so.7 - stl_iterator.h:1077-1244,vec.h:204-328,commrec.h:171-171,unique_ptr.h:199-487,checkpointhandler.h:107-132,shared_ptr_base.h:1666-1666,enumerationhelpers.h:279-279,arrayref.h:72-311,new_allocator.h:168-168,move.h:198-198,stat.h:79-81,stophandler.h:102-179,md.cpp:228-2032,wallcycle.h:211-312,cyclecounter.h:182-188,std_function.h:247-591,optional:127-127,awh.h:257-257,arrayrefwithpadding.h:101-155,nrnb.h:187-187,resethandler.h:128-167,stl_algobase.h:398-398,stl_vector.h:366-1263	gmx::LegacySimulator::do_md()	InBetween	0.00	0.00	0.00	0.00	0.00	0.03	0.00	0.02	0.02	0.05	0.00	0.00	0.00	0.00	0.00	31
12798	libgromacs_mpi.so.7 - constr.h:220-220,constr.cpp:879-918	gmx::makeAtomsToConstraintsList(int, gmx::ArrayRef, gmx::ArrayRef, gmx::FlexibleConstraintTreatment)	Single	0.00	0.00	0.00	0.00	0.00	0.03	0.00	0.02	0.02	0.04	0.00	0.00	0.00	0.00	0.00	31
3642	libgromacs_mpi.so.7 - hashedmap.h:274-281,domdec_constraints.cpp:528-534,stl_vector.h:1145-1145	dd_make_local_constraints(gmx_domdec_t, int, gmx_mtop_t const&, gmx::ArrayRef, gmx::Constraints, int, gmx::ArrayRef)	InBetween	0.00	0.00	0.00	0.00	0.00	0.03	0.00	0.02	0.01	0.03	0.00	0.00	0.00	0.00	0.00	30
1617	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:104-182,atomdata.cpp:1053-1223,arrayref.h:82-85,bitmask.h:154-154,stl_vector.h:990-1258	nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]	Outermost	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.01	0.01	0.00	0.00	0.00	0.00	0.00	31
3166	libgromacs_mpi.so.7 - pairlist.cpp:1981-1985,stl_vector.h:1126-1126	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef, nbnxn_atomdata_t, gmx::ListOfLists const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.68]	Innermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	31
3667	libgromacs_mpi.so.7 - hashedmap.h:274-282,new_allocator.h:147-187,ga2la.h:112-126,stl_uninitialized.h:1114-1126,domdec_constraints.cpp:272-280,vector.tcc:469-523,stl_algobase.h:262-262,stl_vector.h:378-1899	dd_make_local_constraints(gmx_domdec_t, int, gmx_mtop_t const&, gmx::ArrayRef, gmx::Constraints, int, gmx::ArrayRef) [clone .extracted]	InBetween	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	31
1610	libgromacs_mpi.so.7 - grid.h:233-266,atomdata.cpp:993-1015,stl_vector.h:1145-1263	nbnxn_atomdata_copy_x_to_nbat_x(Nbnxm::GridSet const&, gmx::AtomLocality, float const () [3], nbnxn_atomdata_t) [clone .extracted]	Outermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	30
3169	libgromacs_mpi.so.7 - stl_algobase.h:918-919	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef, nbnxn_atomdata_t, gmx::ListOfLists const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.68]	Innermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	31
15451	libgromacs_mpi.so.7 - fft5d.cpp:854-1369	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	InBetween	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.01	0.01	0.00	0.00	0.00	0.00	0.00	31
13419	libgromacs_mpi.so.7 - mtop_lookup.h:93-106,stl_vector.h:1145-1145	atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef, int, gmx::MDAtoms*) [clone .extracted]	Innermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	31
1613	libgromacs_mpi.so.7 - atomdata.cpp:1149-1268,atomdata.h:102-102,stl_vector.h:1126-1263	reduceForces(nbnxn_atomdata_t, gmx::AtomLocality, Nbnxm::GridSet const&, float () [3]) [clone .extracted]	Outermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.01	0.01	0.00	0.00	0.00	0.00	0.00	31
79	gmx_mpi -	__intel_rtdd_indep	Single	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	31
4071	libgromacs_mpi.so.7 - vec.h:204-206,redistribute.cpp:91-100,stl_vector.h:1126-1126	dd_redistribute_cg(_IO_FILE, long, gmx_domdec_t, int, t_state, t_forcerec, t_nrnb, int*)	Single	0.00	0.00	0.00	0.00	0.00	0.02	0.00	0.01	0.01	0.03	0.00	0.00	0.00	0.00	0.00	26
12800	libgromacs_mpi.so.7 - constr.cpp:892-895	gmx::makeAtomsToConstraintsList(int, gmx::ArrayRef, gmx::ArrayRef, gmx::FlexibleConstraintTreatment)	Single	0.00	0.00	0.00	0.00	0.00	0.02	0.00	0.01	0.01	0.03	0.00	0.00	0.00	0.00	0.00	30
13314	libgromacs_mpi.so.7 - lincs.cpp:1337-1342	gmx::set_lincs_matrix(gmx::Lincs*, gmx::ArrayRef, float)	Single	0.00	0.00	0.00	0.00	0.00	0.02	0.01	0.02	0.02	0.05	0.00	0.00	0.00	0.00	0.00	31
3898	libgromacs_mpi.so.7 - stl_algobase.h:386-388	gmx::dd_partition_system(_IO_FILE, gmx::MDLogger const&, long, t_commrec const, bool, int, t_state, gmx_mtop_t const&, t_inputrec const&, gmx::ImdSession, pull_t, t_state, gmx::ForceBuffers, gmx::MDAtoms, gmx_localtop_t, t_forcerec, gmx::VirtualSitesHandler, gmx::Constraints, t_nrnb, gmx_wallcycle, bool)	Innermost	0.00	0.00	0.00	0.00	0.00	0.02	0.01	0.04	0.04	0.08	0.00	0.00	0.00	0.00	0.00	30
4689	libgromacs_mpi.so.7 - mshift.cpp:455-712	mk_mshift(_IO_FILE, t_graph, PbcType, float const () [3], float const () [3])	InBetween	0.00	0.00	0.00	0.00	0.00	0.02	0.00	0.01	0.01	0.02	0.00	0.00	0.00	0.00	0.00	28
13360	libgromacs_mpi.so.7 - iterator_interface.hpp:459-459,lincs.cpp:1950-1955,stl_vector.h:1126-1126	gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef, float, bool, t_commrec const, gmx::Lincs) [clone .extracted]	Innermost	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	31
3880	libgromacs_mpi.so.7 - stl_iterator.h:1244-1244,ga2la.h:156-158	gmx::dd_partition_system(_IO_FILE, gmx::MDLogger const&, long, t_commrec const, bool, int, t_state, gmx_mtop_t const&, t_inputrec const&, gmx::ImdSession, pull_t, t_state, gmx::ForceBuffers, gmx::MDAtoms, gmx_localtop_t, t_forcerec, gmx::VirtualSitesHandler, gmx::Constraints, t_nrnb, gmx_wallcycle, bool)	Innermost	0.00	0.00	0.00	0.00	0.00	0.02	0.00	0.02	0.01	0.04	0.00	0.00	0.00	0.00	0.00	30
1705	libgromacs_mpi.so.7 - vectypes.h:122-122,grid.cpp:385-387	Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef const>, float, float, int, gmx::ArrayRef)	Innermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	30
4741	libgromacs_mpi.so.7 - vec.h:204-206,functions.h:321-321,pbc.cpp:90-574,stl_algobase.h:238-238	low_set_pbc(t_pbc, PbcType, int const, float const (*) [3])	InBetween	0.00	0.00	0.00	0.00	0.00	0.02	0.00	0.02	0.03	0.04	0.00	0.00	0.00	0.00	0.00	31
13573	libgromacs_mpi.so.7 - settle.cpp:231-240	gmx::SettleData::setConstraints(InteractionList const&, int, gmx::ArrayRef, gmx::ArrayRef)	Single	0.00	0.00	0.00	0.00	0.00	0.02	0.00	0.02	0.02	0.03	0.00	0.00	0.00	0.00	0.00	30
3120	libgromacs_mpi.so.7 - impl_x86_avx_512_simd4_float.h:56-262,stl_iterator.h:1077-1228,impl_x86_avx_512_simd_float.h:58-394,vec.h:204-206,grid.h:233-299,iterator_interface.hpp:305-459,pairsearch.h:79-84,clusterdistancekerneltype.h:66-74,functions.h:321-484,unique_ptr.h:199-199,pairlist.cpp:152-4018,smalloc.h:370-377,arrayref.h:78-82,nbnxm_geometry.h:59-64,new_allocator.h:147-187,pairlist.h:179-179,bitmask.h:142-142,stl_uninitialized.h:667-1126,gridset.h:135-168,ishift.h:59-60,cmath:466-466,stl_construct.h:119-119,cyclecounter.h:182-188,pairlist_simd_2xmm.h:63-242,atomdata.h:258-258,vector.tcc:637-707,boundingboxes.h:98-98,listoflists.h:119-146,impl_x86_avx_512_util_float.h:371-376,stl_algobase.h:238-1128,stl_vector.h:378-1936	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef, nbnxn_atomdata_t, gmx::ListOfLists const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.68]	Outermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.00	0.00	0.00	0.00	26
15090	libgromacs_mpi.so.7 - stl_iterator.h:1077-1228,arrayref.h:72-72,pme.cpp:1224-1434,wallcycle.h:211-313,cyclecounter.h:182-188,array:203-203,nrnb.h:187-187	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	0.00	0.00	0.00	0.00	0.00	0.02	0.00	0.01	0.00	0.02	0.00	0.00	0.00	0.00	0.00	21
4075	libgromacs_mpi.so.7 - redistribute.cpp:679-703,array:203-203,stl_vector.h:990-1936	dd_redistribute_cg(_IO_FILE, long, gmx_domdec_t, int, t_state, t_forcerec, t_nrnb, int*)	Single	0.00	0.00	0.00	0.00	0.00	0.02	0.00	0.02	0.02	0.05	0.00	0.00	0.00	0.00	0.00	31
3455	libgromacs_mpi.so.7 - vec.h:284-284,functions.h:321-321,reversetopology.h:114-114,computemultibodycutoffs.cpp:76-116,stl_vector.h:990-990	dd_bonded_cg_distance(gmx::MDLogger const&, gmx_mtop_t const&, t_inputrec const&, gmx::ArrayRef const>, float const () [3], gmx::DDBondedChecking, float, float*)	InBetween	0.00	0.00	0.00	0.00	0.00	0.02	0.00	0.01	0.01	0.03	0.00	0.00	0.00	0.00	0.00	28
4067	libgromacs_mpi.so.7 - redistribute.cpp:133-143,hashedmap.h:229-255,ga2la.h:99-101,stl_vector.h:1126-1126	dd_redistribute_cg(_IO_FILE, long, gmx_domdec_t, int, t_state, t_forcerec, t_nrnb, int*)	Outermost	0.00	0.00	0.00	0.00	0.00	0.02	0.00	0.01	0.01	0.03	0.00	0.00	0.00	0.00	0.00	31
1740	libgromacs_mpi.so.7 - grid.h:233-266,gridset.cpp:121-128,stl_vector.h:1126-1126	Nbnxm::GridSet::setLocalAtomOrder()	Outermost	0.00	0.00	0.00	0.00	0.00	0.02	0.00	0.01	0.00	0.02	0.00	0.00	0.00	0.00	0.00	13
1688	libgromacs_mpi.so.7 - grid.cpp:921-923	Nbnxm::Grid::fillCell(Nbnxm::GridSetData, nbnxn_atomdata_t, int, int, gmx::ArrayRef, gmx::ArrayRef const>, Nbnxm::BoundingBox*)	Single	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	29
4790	libgromacs_mpi.so.7 - pbc.cpp:860-862	pbc_dx_aiuc(t_pbc const, float const, float const, float)	Single	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	21
4527	libgromacs_mpi.so.7 - threaded_force_buffer.cpp:92-94	gmx::ThreadForceBuffer::clearForcesAndEnergies()	Single	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.00	0.00	0.00	0.00	20
3666	libgromacs_mpi.so.7 - mtop_lookup.h:93-106,stl_vector.h:1145-1145	dd_make_local_constraints(gmx_domdec_t, int, gmx_mtop_t const&, gmx::ArrayRef, gmx::Constraints, int, gmx::ArrayRef) [clone .extracted]	Innermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	27
3207	libgromacs_mpi.so.7 - stl_iterator.h:1077-1077,iterator_interface.hpp:305-305,pairlist.cpp:3613-3728,new_allocator.h:187-187,bitmask.h:142-142,array:277-277,stl_algobase.h:931-931,stl_vector.h:990-1289	rebalanceSimpleLists(gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef) [clone .extracted]	Outermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	26
14935	libgromacs_mpi.so.7 - utilities.h:57-57,manage_threading.cpp:351-351	setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&) [clone .extracted]	Innermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.00	0.00	0.00	0.00	19
1679	libgromacs_mpi.so.7 - grid.cpp:531-536,stl_algobase.h:238-238	Nbnxm::Grid::fillCell(Nbnxm::GridSetData, nbnxn_atomdata_t, int, int, gmx::ArrayRef, gmx::ArrayRef const>, Nbnxm::BoundingBox*)	Single	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	30
15188	libgromacs_mpi.so.7 - pme_grid.cpp:529-539	unwrap_periodic_pmegrid(gmx_pme_t, float) [clone .extracted]	Outermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.01	0.01	0.00	0.00	0.00	0.00	0.00	28
13733	libgromacs_mpi.so.7 - iterator_interface.hpp:305-305,update.cpp:1637-1641	gmx::Update::Impl::finish_update(t_inputrec const&, bool, int, gmx::ArrayRef, t_state, gmx_wallcycle, bool) [clone .extracted]	Single	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	27
13413	libgromacs_mpi.so.7 - vec.h:328-335,iterator_interface.hpp:305-305,md_support.cpp:113-157,vectypes.h:122-122	calc_ke_part_normal(gmx::ArrayRef const>, t_grpopts const, t_mdatoms const, gmx_ekindata_t, t_nrnb, bool) [clone .extracted]	Outermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.00	0.00	0.00	0.00	28
3164	libgromacs_mpi.so.7 - pairlist.cpp:1991-1995,stl_vector.h:1126-1126	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef, nbnxn_atomdata_t, gmx::ListOfLists const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.68]	Innermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	31
3157	libgromacs_mpi.so.7 - grid.h:251-251,pairlist.cpp:2778-2781	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef, nbnxn_atomdata_t, gmx::ListOfLists const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.68]	Innermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.00	0.00	0.00	0.00	19
1604	libgromacs_mpi.so.7 - atomdata.cpp:125-127	nbnxn_atomdata_set(nbnxn_atomdata_t*, Nbnxm::GridSet const&, gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef)	Innermost	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.02	0.02	0.05	0.00	0.00	0.00	0.00	0.00	31
3894	libgromacs_mpi.so.7 - stl_algobase.h:386-388	gmx::dd_partition_system(_IO_FILE, gmx::MDLogger const&, long, t_commrec const, bool, int, t_state, gmx_mtop_t const&, t_inputrec const&, gmx::ImdSession, pull_t, t_state, gmx::ForceBuffers, gmx::MDAtoms, gmx_localtop_t, t_forcerec, gmx::VirtualSitesHandler, gmx::Constraints, t_nrnb, gmx_wallcycle, bool)	Innermost	0.00	0.00	0.00	0.00	0.00	0.01	0.01	0.04	0.04	0.06	0.00	0.00	0.00	0.00	0.00	31
13293	libgromacs_mpi.so.7 - lincs.cpp:2229-2231	gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef, float, bool, t_commrec const, gmx::Lincs)	Single	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.01	0.03	0.00	0.00	0.00	0.00	0.00	26
1595	libgromacs_mpi.so.7 - atomdata.cpp:801-803	nbnxn_atomdata_set(nbnxn_atomdata_t*, Nbnxm::GridSet const&, gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef)	Innermost	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.02	0.02	0.05	0.00	0.00	0.00	0.00	0.00	29
4556	libgromacs_mpi.so.7 - vec.h:141-147,unique_ptr.h:199-199,threaded_force_buffer.cpp:353-355,stl_vector.h:1258-1258	gmx::ThreadedForceBuffer::reduce(gmx::ForceWithShiftForces, float, gmx_grppairener_t*, gmx::ArrayRef, gmx::StepWorkload const&, int)	Innermost	0.00	0.00	0.00	0.00	0.00	0.01	0.01	0.03	0.03	0.05	0.00	0.00	0.00	0.00	0.00	31
4072	libgromacs_mpi.so.7 - vec.h:204-206,unique_ptr.h:199-199,redistribute.cpp:112-123,updategroupscog.h:116-116,stl_vector.h:1126-1145	dd_redistribute_cg(_IO_FILE, long, gmx_domdec_t, int, t_state, t_forcerec, t_nrnb, int*)	Single	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.02	0.02	0.04	0.00	0.00	0.00	0.00	0.00	29
4070	libgromacs_mpi.so.7 - vec.h:204-206,redistribute.cpp:91-100,stl_vector.h:1126-1126	dd_redistribute_cg(_IO_FILE, long, gmx_domdec_t, int, t_state, t_forcerec, t_nrnb, int*)	Single	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.02	0.02	0.04	0.00	0.00	0.00	0.00	0.00	28
15404	libgromacs_mpi.so.7 - pme_spread.cpp:154-156	spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone .extracted.18]	Innermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	31
3234	libgromacs_mpi.so.7 - stl_algobase.h:918-919	std::vector, std::allocator > >::_M_fill_insert(__gnu_cxx::__normal_iterator*, std::vector, std::allocator > > >, unsigned long, std::array const&)	Single	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	30
1718	libgromacs_mpi.so.7 - impl_x86_avx_512_simd4_float.h:84-182,grid.cpp:678-678	Nbnxm::Grid::setCellIndices(int, int, Nbnxm::GridSetData, gmx::ArrayRef, gmx::Range, gmx::ArrayRef, gmx::ArrayRef const>, int, nbnxn_atomdata_t)	Innermost	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.02	0.01	0.04	0.00	0.00	0.00	0.00	0.00	31
4550	libgromacs_mpi.so.7 - unique_ptr.h:199-199,threaded_force_buffer.cpp:380-382,stl_vector.h:1126-1126	gmx::ThreadedForceBuffer::reduce(gmx::ForceWithShiftForces, float, gmx_grppairener_t*, gmx::ArrayRef, gmx::StepWorkload const&, int)	Innermost	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	22
13331	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:104-198,lincs.cpp:1155-1155	gmx::do_lincs(gmx::ArrayRefWithPadding const>, gmx::ArrayRefWithPadding >, float const () [3], t_pbc, gmx::Lincs, int, gmx::ArrayRef, t_commrec const, bool, float, bool, float, gmx::ArrayRef >, bool, float () [3])	Innermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.00	0.00	0.00	0.00	24
13581	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:104-452,settle.cpp:423-423,impl_x86_avx_512_util_float.h:114-153,stl_vector.h:1263-1263	gmx::csettle(gmx::SettleData const&, int, int, t_pbc const, gmx::ArrayRefWithPadding const>, gmx::ArrayRefWithPadding >, float, gmx::ArrayRefWithPadding >, bool, float () [3], bool*)	Single	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.00	0.00	0.00	0.00	17
4080	libgromacs_mpi.so.7 - vec.h:193-198,redistribute.cpp:414-414	dd_redistribute_cg(_IO_FILE, long, gmx_domdec_t, int, t_state, t_forcerec, t_nrnb, int*) [clone .extracted]	Innermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	7
3241	libgromacs_mpi.so.7 - stl_iterator.h:1750-1750,new_allocator.h:187-187,stl_uninitialized.h:351-351	void std::vector > >::_M_realloc_insert(__gnu_cxx::__normal_iterator > > >, nbnxn_cj_t const&)	Single	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	27
15193	libgromacs_mpi.so.7 - pme_grid.cpp:518-522	unwrap_periodic_pmegrid(gmx_pme_t, float) [clone .extracted.30]	InBetween	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.00	0.00	0.00	0.00	26
3810	libgromacs_mpi.so.7 - idef.h:245-247	int 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	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	20
3639	libgromacs_mpi.so.7 - hashedmap.h:274-281,domdec_constraints.cpp:543-549,stl_vector.h:1145-1145	dd_make_local_constraints(gmx_domdec_t, int, gmx_mtop_t const&, gmx::ArrayRef, gmx::Constraints, int, gmx::ArrayRef)	InBetween	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.02	0.02	0.05	0.00	0.00	0.00	0.00	0.00	30
3637	libgromacs_mpi.so.7 - stl_iterator.h:1244-1244,hashedmap.h:290-293	dd_clear_local_constraint_indices(gmx_domdec_t*)	Single	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	12
1741	libgromacs_mpi.so.7 - gridset.cpp:125-128	Nbnxm::GridSet::setLocalAtomOrder()	Innermost	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.02	0.02	0.04	0.00	0.00	0.00	0.00	0.00	31
3263	libgromacs_mpi.so.7 - prunekerneldispatch.cpp:68-86,clusterdistancekerneltype.h:66-74,arrayref.h:78-85	PairlistSet::dispatchPruneKernel(nbnxn_atomdata_t const*, gmx::ArrayRef const>) [clone .extracted]	Single	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.00	0.00	0.00	0.00	28
1603	libgromacs_mpi.so.7 - atomdata.cpp:125-127	nbnxn_atomdata_set(nbnxn_atomdata_t*, Nbnxm::GridSet const&, gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef)	Innermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	3
3478	libgromacs_mpi.so.7 - distribute.cpp:436-442,new_allocator.h:147-187,stl_uninitialized.h:1114-1126,vector.tcc:469-523,stl_algobase.h:262-262,stl_vector.h:378-1899	distributeState(gmx::MDLogger const&, gmx_domdec_t, gmx_mtop_t const&, t_state, gmx_ddbox_t const&, t_state*)	Single	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	7
1694	libgromacs_mpi.so.7 - grid.cpp:855-857	Nbnxm::Grid::fillCell(Nbnxm::GridSetData, nbnxn_atomdata_t, int, int, gmx::ArrayRef, gmx::ArrayRef const>, Nbnxm::BoundingBox*)	Innermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	17
1726	libgromacs_mpi.so.7 - grid.cpp:1400-1402,stl_vector.h:1126-1126	Nbnxm::Grid::setCellIndices(int, int, Nbnxm::GridSetData, gmx::ArrayRef, gmx::Range, gmx::ArrayRef, gmx::ArrayRef const>, int, nbnxn_atomdata_t)	Innermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	21
4791	libgromacs_mpi.so.7 - pbc.cpp:852-854	pbc_dx_aiuc(t_pbc const, float const, float const, float)	Single	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	22
4552	libgromacs_mpi.so.7 - unique_ptr.h:199-199,threaded_force_buffer.cpp:365-367,stl_vector.h:1258-1258	gmx::ThreadedForceBuffer::reduce(gmx::ForceWithShiftForces, float, gmx_grppairener_t*, gmx::ArrayRef, gmx::StepWorkload const&, int)	Innermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.01	0.02	0.00	0.00	0.00	0.00	0.00	24
13333	libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:104-198,lincs.cpp:1098-1098	gmx::do_lincs(gmx::ArrayRefWithPadding const>, gmx::ArrayRefWithPadding >, float const () [3], t_pbc, gmx::Lincs, int, gmx::ArrayRef, t_commrec const, bool, float, bool, float, gmx::ArrayRef >, bool, float () [3])	Single	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.00	0.00	0.00	0.00	14
4686	libgromacs_mpi.so.7 - vec.h:167-245,mshift.cpp:454-775,iterator_interface.hpp:459-459,arrayref.h:82-82,listoflists.h:109-146,stl_vector.h:990-1263	mk_mshift(_IO_FILE, t_graph, PbcType, float const () [3], float const () [3])	InBetween	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.01	0.02	0.00	0.00	0.00	0.00	0.00	24
4685	libgromacs_mpi.so.7 - mshift.cpp:654-656,iterator_interface.hpp:459-459,listoflists.h:145-145	mk_mshift(_IO_FILE, t_graph, PbcType, float const () [3], float const () [3])	Innermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	3
3453	libgromacs_mpi.so.7 - vec.h:284-284,iterator_interface.hpp:459-459,functions.h:321-321,computemultibodycutoffs.cpp:76-133,listoflists.h:145-146	dd_bonded_cg_distance(gmx::MDLogger const&, gmx_mtop_t const&, t_inputrec const&, gmx::ArrayRef const>, float const () [3], gmx::DDBondedChecking, float, float*)	InBetween	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	3
3788	libgromacs_mpi.so.7 - stl_iterator.h:1077-1077,localtopology.cpp:346-346,stl_vector.h:1483-1483	dd_make_local_top(gmx_domdec_t const&, gmx_domdec_zones_t const&, int, float () [3], float, int const, t_forcerec, gmx::ArrayRef const>, gmx_mtop_t const&, gmx::ArrayRef, gmx_localtop_t*)	Innermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	7
13391	libgromacs_mpi.so.7 - vec.h:538-546,md_support.cpp:165-165	compute_globals(gmx_global_stat, t_commrec, t_inputrec const, t_forcerec, gmx_ekindata_t, gmx::ArrayRef const>, gmx::ArrayRef const>, float const () [3], t_mdatoms const, t_nrnb, t_vcm, gmx_wallcycle, gmx_enerdata_t, float () [3], float () [3], float () [3], float () [3], gmx::SimulationSignaller, float const () [3], bool, int, long, gmx::ObservablesReducer*)	Innermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.02	0.01	0.03	0.00	0.00	0.00	0.00	0.00	29
4529	libgromacs_mpi.so.7 - threaded_force_buffer.cpp:92-94	gmx::ThreadForceBuffer::clearForcesAndEnergies()	Single	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	6
4528	libgromacs_mpi.so.7 - threaded_force_buffer.cpp:92-94	gmx::ThreadForceBuffer::clearForcesAndEnergies()	Single	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.00	0.00	0.00	0.00	12
3641	libgromacs_mpi.so.7 - hashedmap.h:274-281,domdec_constraints.cpp:525-534,stl_vector.h:1145-1145	dd_make_local_constraints(gmx_domdec_t, int, gmx_mtop_t const&, gmx::ArrayRef, gmx::Constraints, int, gmx::ArrayRef)	Outermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.01	0.02	0.00	0.00	0.00	0.00	0.00	25
14936	libgromacs_mpi.so.7 - utilities.h:57-57,bitmask.h:136-136,threaded_force_buffer.h:110-110,listed_internal.h:74-74,array:203-203,manage_threading.cpp:351-367,stl_vector.h:990-1145	setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&) [clone .extracted]	InBetween	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.00	0.00	0.00	0.00	18
3785	libgromacs_mpi.so.7 - listoflists.h:192-194	dd_make_local_top(gmx_domdec_t const&, gmx_domdec_zones_t const&, int, float () [3], float, int const, t_forcerec, gmx::ArrayRef const>, gmx_mtop_t const&, gmx::ArrayRef, gmx_localtop_t*)	Innermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	11
13325	libgromacs_mpi.so.7 - vec.h:167-345,iterator_interface.hpp:459-459,std_abs.h:76-76,lincs.cpp:2337-2364,stl_vector.h:1145-1145	gmx::makeLincsDeviations(gmx::Lincs const&, gmx::ArrayRef const>, t_pbc const*)	Innermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.00	0.00	0.00	0.00	14
1759	libgromacs_mpi.so.7 - kernel_common.cpp:111-125	reduce_energies_over_lists(nbnxn_atomdata_t const, int, float, float*)	InBetween	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	13
1608	libgromacs_mpi.so.7 - iterator_interface.hpp:459-459,atomdata.cpp:1282-1285,arrayref.h:82-82,stl_vector.h:1145-1145	nbnxn_atomdata_add_nbat_fshift_to_fshift(nbnxn_atomdata_t const&, gmx::ArrayRef >)	Innermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.02	0.00	0.00	0.00	0.00	0.00	31
15272	libgromacs_mpi.so.7 - vec.h:538-546,pme_solve.cpp:193-195	get_pme_ener_vir_q(pme_solve_work_t, int, PmeOutput)	Single	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	9
13846	libgromacs_mpi.so.7 - vcm.cpp:287-292	void doStopComMotionLinear<3>(t_mdatoms const&, gmx::ArrayRef >, t_vcm const&)	Single	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	31
13367	libgromacs_mpi.so.7 - arrayref.h:78-78,lincs.cpp:1248-1353,stl_vector.h:1126-1126	gmx::set_lincs_matrix(gmx::Lincs*, gmx::ArrayRef, float) [clone .extracted]	Outermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	10
12782	libgromacs_mpi.so.7 - vec.h:328-328,calcvir.cpp:61-120	calc_vir(int, float const () [3], float const () [3], float () [3], bool, float const () [3]) [clone .extracted]	Outermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.00	0.00	0.00	0.00	11
5155	libgromacs_mpi.so.7 - idef.cpp:506-506,stl_vector.h:1603-1936	InteractionDefinitions::clear()	Single	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.00	0.00	0.00	0.00	23
4850	libgromacs_mpi.so.7 - pbc_simd.cpp:59-61	set_pbc_simd(t_pbc const, float)	Single	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	25
4538	libgromacs_mpi.so.7 - unique_ptr.h:199-199,new_allocator.h:147-187,basic_string.h:236-277,bitmask.h:154-191,stl_uninitialized.h:1114-1126,vector.tcc:469-523,array:277-277,threaded_force_buffer.cpp:272-301,stl_algobase.h:262-931,stl_vector.h:378-1899	gmx::ThreadedForceBuffer::setupReduction()	Outermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.01	0.02	0.00	0.00	0.00	0.00	0.00	23
3829	libgromacs_mpi.so.7 - iterator_interface.hpp:305-305,arrayref.h:72-85,range.h:103-105,localtopology.cpp:845-905,stl_vector.h:990-1936	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) [clone .extracted]	Single	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.00	0.00	0.00	0.00	15
1756	libgromacs_mpi.so.7 - bitmask.h:162-162,kernel_common.cpp:56-76	clearForceBuffer(nbnxn_atomdata_t*, int)	Single	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	28
1745	libgromacs_mpi.so.7 - gridset.cpp:212-217,arrayref.h:72-85,stl_vector.h:990-1258	Nbnxm::GridSet::putOnGrid(float const () [3], int, float const, float const, gmx::UpdateGroupsCog const, gmx::Range, float, gmx::ArrayRef, gmx::ArrayRef const>, int, int const, nbnxn_atomdata_t) [clone .extracted]	Single	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.00	0.00	0.00	0.00	12
1697	libgromacs_mpi.so.7 - grid.h:251-266,arrayref.h:72-72,range.h:84-84,grid.cpp:1032-1093,stl_vector.h:1126-1145	Nbnxm::Grid::sortColumnsCpuGeometry(Nbnxm::GridSetData, int, gmx::ArrayRef, gmx::ArrayRef const>, nbnxn_atomdata_t, gmx::Range, gmx::ArrayRef)	Outermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.00	0.00	0.00	0.00	21
621	libgromacs_mpi.so.7 - move.h:197-199,inmemoryserializer.cpp:92-92	gmx::InMemoryDeserializer::doFloat(float*)	Single	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	19
3458	libgromacs_mpi.so.7 - vec.h:284-284,functions.h:321-321,computemultibodycutoffs.cpp:76-113	dd_bonded_cg_distance(gmx::MDLogger const&, gmx_mtop_t const&, t_inputrec const&, gmx::ArrayRef const>, float const () [3], gmx::DDBondedChecking, float, float*)	Innermost	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.00	0.00	0.00	0.00	31

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