OV - gmx_mpi - Functions and Loops

Name	Module	Coverage run_0 (%)	Coverage Excluding Loops run_0 (%)	Max Inclusive Time Over Threads run_0 (s)	Max Exclusive Time Over Threads run_0 (s)	Inclusive Time w.r.t. Wall Time run_0 (s)	Exclusive Time w.r.t. Wall Time run_0 (s)	Nb Threads run_0	Deviation (coverage) run_0	Deviation (walltime) run_0	Categories run_0	Compilation Options
►void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)0>(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const*, float c...+	libgromacs_mpi.so.9.0.0	21.36	0.00	4.83	0.01	2.86	0.00	128	2.49	0.33	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 3601 - simd_kernel.h:273-545 - libgromacs_mpi.so.9.0.0 [...]+		21.36	1.14	8.61	0.33	2.86	0.15	128	0.28	0.04
○Loop 3605 - simd_kernel.h:518-518 - libgromacs_mpi.so.9.0.0 [...]		0.42	0.42	0.51	0.51	0.06	0.06	61	1.44	0.19
○Loop 3603 - impl_x86_avx_512_simd_float.h:84-84 - libgromacs_mpi.so.9.0.0 [...]		0.62	0.62	0.22	0.22	0.08	0.08	128	0.36	0.05
○Loop 3607 - impl_x86_avx_512_simd_float.h:84-84 - libgromacs_mpi.so.9.0.0 [...]		0.45	0.45	0.28	0.28	0.06	0.06	115	0.55	0.07
○Loop 3602 - simd_kernel.h:476-476 - libgromacs_mpi.so.9.0.0 [...]		13.73	13.73	4.35	4.35	1.84	1.84	128	8.23	1.09
○Loop 3606 - simd_kernel.h:497-497 - libgromacs_mpi.so.9.0.0 [...]		4.96	4.96	2.86	2.86	0.66	0.66	128	6.04	0.80
○Loop 3604 - simd_kernel.h:510-513 - libgromacs_mpi.so.9.0.0 [...]		0.04	0.04	0.06	0.06	0.01	0.01	35	0.14	0.02
○ADIOI_GEN_SetLockDirect64	libmpi.so.12.0.0	17.60	17.60	4.38	4.38	2.36	2.36	192	9.11	1.20	MPI (%): 100.00
○f64xsubf128	libm.so.6	9.30	9.30	1.66	1.66	1.25	1.25	192	2.35	0.31	Math (%): 100.00
○energyDriftAtomPair(bool, bool, float, float, float, float, pot_derivatives_t const*) [clone .isra.0]	libgromacs_mpi.so.9.0.0	7.76	7.76	1.35	1.35	1.04	1.04	192	1.87	0.25	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○MPIDI_SHMGR_Gather	libmpi.so.12.0.0	7.47	7.47	2.28	2.28	1.00	1.00	192	5.99	0.79	MPI (%): 100.00
○erfcf	libm.so.6	5.81	5.81	1.05	1.05	0.78	0.78	192	1.49	0.20	Math (%): 100.00
►void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)1>(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const*, float c...+	libgromacs_mpi.so.9.0.0	3.65	0.00	0.86	0.00	0.49	0.00	128	0.56	0.07	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 3608 - simd_kernel.h:273-555 - libgromacs_mpi.so.9.0.0 [...]+		3.65	0.16	1.60	0.08	0.49	0.02	128	0.10	0.01
○Loop 3611 - simd_kernel.h:510-513 - libgromacs_mpi.so.9.0.0 [...]		0.01	0.01	0.02	0.02	0.00	0.00	27	0.04	0.01
○Loop 3614 - impl_x86_avx_512_simd_float.h:84-84 - libgromacs_mpi.so.9.0.0 [...]		0.08	0.08	0.07	0.07	0.01	0.01	95	0.11	0.02
○Loop 3613 - simd_kernel.h:497-497 - libgromacs_mpi.so.9.0.0 [...]		0.87	0.87	0.51	0.51	0.12	0.12	127	1.06	0.14
○Loop 3612 - simd_kernel.h:518-518 - libgromacs_mpi.so.9.0.0 [...]		0.05	0.05	0.09	0.09	0.01	0.01	40	0.20	0.03
○Loop 3609 - simd_kernel.h:476-476 - libgromacs_mpi.so.9.0.0 [...]		2.37	2.37	0.77	0.77	0.32	0.32	128	1.45	0.19
○Loop 3610 - impl_x86_avx_512_simd_float.h:84-84 - libgromacs_mpi.so.9.0.0 [...]		0.10	0.10	0.05	0.05	0.01	0.01	123	0.09	0.01
○MPIR_Progress_hook_exec_on_vci	libmpi.so.12.0.0	3.29	3.29	2.09	2.09	0.44	0.44	192	1.93	0.25	MPI (%): 100.00
►energyDrift(gmx::ArrayRef<VerletbufAtomtype const>, gmx_ffparams_t const*, float, pot_derivatives_t const&, pot_derivatives_t const&, pot_derivatives_t const&, float, float, float, int, float)+	libgromacs_mpi.so.9.0.0	1.70	0.00	0.35	0.00	0.23	0.00	192	0.47	0.06	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 16070 - calc_verletbuf.cpp:654-853 - libgromacs_mpi.so.9.0.0 [...]+		1.70	0.00	0.36	0.00	0.23	0.00	4	0.00	0.00
○Loop 16071 - calc_verletbuf.h:263-284 - libgromacs_mpi.so.9.0.0 [...]		1.70	1.70	0.35	0.35	0.23	0.23	192	0.47	0.06
○MPID_Progress_wait	libmpi.so.12.0.0	1.68	1.68	0.47	0.47	0.23	0.23	192	0.84	0.11	MPI (%): 100.00
►gather_f_bsplines(gmx_pme_t const, float const, bool, PmeAtomComm const, splinedata_t const, float)+	libgromacs_mpi.so.9.0.0	1.61	0.00	0.88	0.01	0.22	0.00	64	0.76	0.10	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 18915 - pme_gather.cpp:81-348 - libgromacs_mpi.so.9.0.0 [...]+		1.60	1.60	0.88	0.88	0.22	0.22	64	0.76	0.10
►Loop 18918 - pme_gather.cpp:103-124 - libgromacs_mpi.so.9.0.0+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 18917 - pme_gather.cpp:109-124 - libgromacs_mpi.so.9.0.0+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 18919 - pme_gather.cpp:116-120 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 18916 - pme_gather.cpp:169-251 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone ._omp_fn.1]+	libgromacs_mpi.so.9.0.0	1.38	0.00	0.73	0.01	0.18	0.00	64	0.61	0.08	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 19112 - pme_spread.cpp:186-988 - libgromacs_mpi.so.9.0.0 [...]+		1.38	0.00	0.79	0.00	0.18	0.00	0	0.00	0.00
►Loop 19113 - pme_spread.cpp:186-988 - libgromacs_mpi.so.9.0.0 [...]+		1.38	0.00	0.78	0.00	0.18	0.00	5	0.00	0.00
►Loop 19129 - pme_spread.cpp:277-292 - libgromacs_mpi.so.9.0.0 [...]+		0.50	0.50	0.29	0.29	0.07	0.07	64	0.32	0.04
►Loop 19130 - pme_spread.cpp:292-292 - libgromacs_mpi.so.9.0.0+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19132 - pme_spread.cpp:292-292 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19131 - pme_spread.cpp:292-292 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 19114 - pme_spread.cpp:186-988 - libgromacs_mpi.so.9.0.0 [...]+		0.87	0.00	0.49	0.00	0.12	0.00	6	0.00	0.00
►Loop 19121 - pme_spread.cpp:400-447 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 19120 - pme_spread.cpp:441-447 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19119 - pme_spread.cpp:445-447 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19122 - pme_spread.cpp:445-447 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 19123 - pme_spread.cpp:358-936 - libgromacs_mpi.so.9.0.0 [...]+		0.87	0.87	0.48	0.48	0.12	0.12	64	0.40	0.05
○Loop 19124 - pme_simd4.h:138-141 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 19127 - pme_spread.cpp:400-936 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 19126 - pme_spread.cpp:400-936 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19128 - pme_spread.cpp:400-400 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19125 - pme_spread.cpp:400-400 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 19116 - pme_spread.cpp:188-358 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19117 - pme_spread.cpp:197-199 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19118 - pme_spread.cpp:197-199 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19115 - pme_spread.cpp:277-970 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	1	0.00	0.00
○exp	libm.so.6	1.11	1.11	0.24	0.24	0.15	0.15	192	0.32	0.04	Math (%): 100.00
►void nbnxn_make_pairlist_part<NbnxnPairlistCpu>(Nbnxm::GridSet const&, Nbnxm::Grid const&, Nbnxm::Grid const&, PairsearchWork, nbnxn_atomdata_t const, gmx::ListOfLists<int> const&, float, PairlistType, int, bool, int, bool, fl...+	libgromacs_mpi.so.9.0.0	1.00	0.00	0.24	0.00	0.13	0.00	128	0.16	0.02	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 5237 - pairlist.cpp:2996-2998 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 5234 - pairlist.cpp:162-3642 - libgromacs_mpi.so.9.0.0 [...]+		1.00	0.00	0.65	0.00	0.13	0.00	0	0.00	0.00
►Loop 5235 - pairlist.cpp:162-3642 - libgromacs_mpi.so.9.0.0 [...]+		1.00	0.00	0.65	0.00	0.13	0.00	0	0.00	0.00
►Loop 5194 - pairlist.cpp:162-3642 - libgromacs_mpi.so.9.0.0 [...]+		1.00	0.00	0.65	0.01	0.13	0.00	15	0.01	0.00
►Loop 5200 - stl_vector.h:990-1936 - libgromacs_mpi.so.9.0.0 [...]+		0.85	0.02	0.48	0.02	0.11	0.00	85	0.03	0.00
►Loop 5204 - stl_vector.h:990-1936 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 5205 - pairlist.cpp:1482-1740 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 5206 - pairlist.cpp:1482-1740 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 5224 - pairlist.cpp:2082-2086 - libgromacs_mpi.so.9.0.0		0.01	0.01	0.01	0.01	0.00	0.00	33	0.02	0.00
►Loop 5199 - new_allocator.h:187-187 - libgromacs_mpi.so.9.0.0 [...]+		0.81	0.02	0.42	0.01	0.11	0.00	81	0.03	0.00
○Loop 5198 - pairlist.cpp:3378-3437 - libgromacs_mpi.so.9.0.0 [...]		0.01	0.01	0.01	0.01	0.00	0.00	35	0.01	0.00
►Loop 5211 - pairlist.cpp:162-3583 - libgromacs_mpi.so.9.0.0 [...]+		0.78	0.02	0.39	0.02	0.10	0.00	71	0.03	0.00
►Loop 5212 - pairlist.cpp:162-3583 - libgromacs_mpi.so.9.0.0 [...]+		0.76	0.35	0.37	0.12	0.10	0.05	128	0.15	0.02
○Loop 5216 - pairlist.cpp:1057-1093 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 5222 - pairlist.cpp:3519-3520 - libgromacs_mpi.so.9.0.0		0.02	0.02	0.02	0.02	0.00	0.00	39	0.04	0.01
○Loop 5217 - pairlist.cpp:1012-1048 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 5220 - pairlist.cpp:162-964 - libgromacs_mpi.so.9.0.0 [...]		0.03	0.03	0.03	0.03	0.00	0.00	95	0.04	0.00
○Loop 5214 - stl_algobase.h:931-931 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 5223 - pairlist.cpp:3504-3505 - libgromacs_mpi.so.9.0.0		0.02	0.02	0.03	0.03	0.00	0.00	65	0.05	0.01
○Loop 5219 - new_allocator.h:187-187 - libgromacs_mpi.so.9.0.0 [...]		0.05	0.05	0.03	0.03	0.01	0.01	114	0.05	0.01
○Loop 5215 - pairlist.cpp:943-1105 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 5213 - stl_algobase.h:931-931 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 5218 - pairlist.cpp:162-226 - libgromacs_mpi.so.9.0.0 [...]		0.20	0.20	0.09	0.09	0.03	0.03	128	0.10	0.01
○Loop 5221 - pairlist.cpp:162-226 - libgromacs_mpi.so.9.0.0 [...]		0.09	0.09	0.05	0.05	0.01	0.01	126	0.07	0.01
►Loop 5201 - stl_vector.h:990-1936 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 5202 - pairlist.cpp:1482-1740 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 5203 - pairlist.cpp:1482-1740 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 5226 - pairlist.cpp:2099-2101 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.01	0.01	0.00	0.00	9	0.01	0.00
○Loop 5225 - pairlist.cpp:2092-2096 - libgromacs_mpi.so.9.0.0		0.01	0.01	0.01	0.01	0.00	0.00	28	0.01	0.00
►Loop 5195 - pairlist.cpp:2868-3623 - libgromacs_mpi.so.9.0.0 [...]+		0.04	0.02	0.05	0.01	0.01	0.00	58	0.02	0.00
○Loop 5233 - pairlist.cpp:2883-2889 - libgromacs_mpi.so.9.0.0		0.01	0.01	0.01	0.01	0.00	0.00	32	0.01	0.00
○Loop 5196 - pairlist.cpp:3318-3349 - libgromacs_mpi.so.9.0.0 [...]		0.01	0.01	0.01	0.01	0.00	0.00	55	0.02	0.00
○Loop 5232 - pairlist.cpp:2883-2886 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	1	0.00	0.00
○Loop 5197 - pairlist.cpp:3349-3378 - libgromacs_mpi.so.9.0.0		0.01	0.01	0.01	0.01	0.00	0.00	35	0.01	0.00
►Loop 5208 - pairlist.cpp:1277-3642 - libgromacs_mpi.so.9.0.0 [...]+		0.01	0.00	0.02	0.00	0.00	0.00	1	0.00	0.00
○Loop 5209 - pairlist.h:102-102 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	3	0.00	0.00
○Loop 5231 - pairlist.cpp:1280-1282 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	4	0.00	0.00
○Loop 5210 - pairlist.cpp:1277-1282 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.01	0.01	0.00	0.00	20	0.01	0.00
►Loop 5227 - pairlist.cpp:1330-1430 - libgromacs_mpi.so.9.0.0 [...]+		0.09	0.02	0.08	0.02	0.01	0.00	77	0.02	0.00
►Loop 5228 - pairlist.cpp:1330-1430 - libgromacs_mpi.so.9.0.0 [...]+		0.07	0.06	0.06	0.04	0.01	0.01	112	0.06	0.01
○Loop 5229 - pairlist.cpp:1341-1349 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.01	0.01	0.00	0.00	9	0.01	0.00
○Loop 5230 - pairlist.cpp:1341-1357 - libgromacs_mpi.so.9.0.0 [...]		0.01	0.01	0.01	0.01	0.00	0.00	30	0.01	0.00
○Loop 5207 - pairlist.cpp:1277-1390 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.01	0.01	0.00	0.00	25	0.00	0.00
○Loop 5236 - pairlist.cpp:2996-2998 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○impi_shm_heap_progress	libmpi.so.12.0.0	0.98	0.98	0.31	0.31	0.13	0.13	192	0.53	0.07	MPI (%): 100.00
►void nbnxmSimdPruneKernel<(KernelLayout)1>(NbnxnPairlistCpu*, nbnxn_atomdata_t const&, gmx::ArrayRef<gmx::BasicVector<float> const>, float)+	libgromacs_mpi.so.9.0.0	0.88	0.00	0.27	0.01	0.12	0.00	128	0.27	0.04	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 5328 - simd_prune_kernel.cpp:106-230 - libgromacs_mpi.so.9.0.0 [...]+		0.88	0.09	0.29	0.05	0.12	0.01	128	0.07	0.01
○Loop 5329 - simd_prune_kernel.cpp:144-206 - libgromacs_mpi.so.9.0.0 [...]		0.79	0.79	0.24	0.24	0.11	0.11	128	0.26	0.03
►gmx::lincs_matrix_expand(gmx::Lincs const&, (anonymous namespace)::Task const&, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<float>) [clone .isra.0]+	libgromacs_mpi.so.9.0.0	0.79	0.00	0.51	0.01	0.11	0.00	119	0.86	0.11	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 16661 - lincs.cpp:264-363 - libgromacs_mpi.so.9.0.0 [...]+		0.19	0.00	0.15	0.00	0.03	0.00	2	0.00	0.00
►Loop 16660 - lincs.cpp:284-295 - libgromacs_mpi.so.9.0.0 [...]+		0.19	0.19	0.14	0.14	0.03	0.03	105	0.22	0.03
○Loop 16665 - lincs.cpp:290-292 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 16658 - lincs.cpp:289-348 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 16657 - lincs.cpp:330-348 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 16659 - lincs.cpp:340-344 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 16662 - lincs.cpp:278-295 - libgromacs_mpi.so.9.0.0 [...]+		0.59	0.00	0.36	0.00	0.08	0.00	0	0.00	0.00
►Loop 16663 - lincs.cpp:284-295 - libgromacs_mpi.so.9.0.0 [...]+		0.59	0.59	0.36	0.36	0.08	0.08	116	0.63	0.08
○Loop 16664 - lincs.cpp:290-292 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)+	libgromacs_mpi.so.9.0.0	0.75	0.00	0.41	0.01	0.10	0.00	64	0.32	0.04	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 19211 - fft5d.cpp:1064-1080 - libgromacs_mpi.so.9.0.0+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 19210 - fft5d.cpp:1066-1080 - libgromacs_mpi.so.9.0.0+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 19213 - fft5d.cpp:1066-1078 - libgromacs_mpi.so.9.0.0+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19212 - fft5d.cpp:1071-1073 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 19197 - fft5d.cpp:758-1369 - libgromacs_mpi.so.9.0.0 [...]+		0.74	0.01	0.64	0.03	0.10	0.00	41	0.04	0.01
►Loop 19206 - fft5d.cpp:758-789 - libgromacs_mpi.so.9.0.0 [...]+		0.28	0.00	0.19	0.00	0.04	0.00	17	0.00	0.00
►Loop 19207 - fft5d.cpp:779-789 - libgromacs_mpi.so.9.0.0+		0.28	0.01	0.19	0.01	0.04	0.00	27	0.03	0.00
►Loop 19209 - fft5d.cpp:783-789 - libgromacs_mpi.so.9.0.0+		0.27	0.09	0.17	0.07	0.04	0.01	64	0.10	0.01
○Loop 19208 - fft5d.cpp:787-789 - libgromacs_mpi.so.9.0.0		0.18	0.18	0.11	0.11	0.02	0.02	64	0.15	0.02
►Loop 19202 - fft5d.cpp:887-918 - libgromacs_mpi.so.9.0.0 [...]+		0.14	0.00	0.12	0.00	0.02	0.00	10	0.00	0.00
►Loop 19203 - fft5d.cpp:908-918 - libgromacs_mpi.so.9.0.0+		0.13	0.01	0.12	0.01	0.02	0.00	22	0.03	0.00
►Loop 19205 - fft5d.cpp:912-918 - libgromacs_mpi.so.9.0.0+		0.13	0.04	0.10	0.03	0.02	0.01	62	0.06	0.01
○Loop 19204 - fft5d.cpp:916-918 - libgromacs_mpi.so.9.0.0		0.09	0.09	0.07	0.07	0.01	0.01	64	0.10	0.01
►Loop 19198 - fft5d.cpp:823-855 - libgromacs_mpi.so.9.0.0 [...]+		0.31	0.00	0.28	0.01	0.04	0.00	7	0.01	0.00
►Loop 19199 - fft5d.cpp:845-855 - libgromacs_mpi.so.9.0.0+		0.31	0.01	0.28	0.02	0.04	0.00	27	0.03	0.00
►Loop 19201 - fft5d.cpp:849-855 - libgromacs_mpi.so.9.0.0+		0.30	0.02	0.26	0.04	0.04	0.00	54	0.05	0.01
○Loop 19200 - fft5d.cpp:853-855 - libgromacs_mpi.so.9.0.0		0.28	0.28	0.22	0.22	0.04	0.04	64	0.21	0.03
○MPIDI_SHMI_progress	libmpi.so.12.0.0	0.63	0.63	0.19	0.19	0.08	0.08	192	0.34	0.05	MPI (%): 100.00
○I_MPI_memcpy_multipage_sse	libmpi.so.12.0.0	0.50	0.00	0.27	0.00	0.07	0.00	127	0.58	0.08	MPI (%): 100.00
►gmx::do_lincs(gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const () [3], t_pbc, gmx::Lincs, int, gmx::ArrayRef<float const>, t_commrec const, bool, floa...+	libgromacs_mpi.so.9.0.0	0.48	0.01	0.29	0.01	0.06	0.00	118	0.52	0.07	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 16676 - lincs.cpp:1243-1245 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	3	0.00	0.00
○Loop 16680 - lincs.cpp:845-857 - libgromacs_mpi.so.9.0.0 [...]		0.23	0.23	0.13	0.13	0.03	0.03	108	0.25	0.03
►Loop 16677 - lincs.cpp:966-1223 - libgromacs_mpi.so.9.0.0 [...]+		0.10	0.00	0.08	0.01	0.01	0.00	20	0.01	0.00
○Loop 16678 - lincs.cpp:1205-1205 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.01	0.01	0.00	0.00	17	0.02	0.00
○Loop 16679 - lincs.cpp:966-978 - libgromacs_mpi.so.9.0.0 [...]		0.09	0.09	0.06	0.06	0.01	0.01	101	0.11	0.01
○Loop 16674 - lincs.cpp:1265-1273 - libgromacs_mpi.so.9.0.0		0.01	0.01	0.01	0.01	0.00	0.00	39	0.02	0.00
○Loop 16682 - lincs.cpp:1146-1146 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.01	0.01	0.00	0.00	17	0.01	0.00
○Loop 16675 - lincs.cpp:1252-1257 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 16681 - lincs.cpp:1133-1137 - libgromacs_mpi.so.9.0.0 [...]+		0.13	0.10	0.11	0.08	0.02	0.01	99	0.13	0.02
○Loop 16683 - lincs.cpp:1135-1137 - libgromacs_mpi.so.9.0.0 [...]		0.03	0.03	0.02	0.02	0.00	0.00	65	0.04	0.01
○constrained_atom_sigma2(float, AtomNonbondedAndKineticProperties const&, float, float)	libgromacs_mpi.so.9.0.0	0.34	0.34	0.12	0.12	0.05	0.05	192	0.16	0.02	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○MPID_Progress_completion_count_get	libmpi.so.12.0.0	0.33	0.33	0.13	0.13	0.04	0.04	191	0.20	0.03	MPI (%): 100.00
►void gmx::settleTemplate<gmx::SimdFloat, gmx::SimdFBool, 16, float const, true, false>(gmx::SettleData const&, int, int, float const, float const, float, float, float, float () [3], bool*) [clone .constprop.0]+	libgromacs_mpi.so.9.0.0	0.30	0.00	0.12	0.01	0.04	0.00	128	0.21	0.03	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 16999 - settle.cpp:425-433 - libgromacs_mpi.so.9.0.0 [...]		0.30	0.30	0.12	0.12	0.04	0.04	128	0.21	0.03
►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*...+	libgromacs_mpi.so.9.0.0	0.30	0.00	0.20	0.01	0.04	0.00	111	0.36	0.05	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 18600 - bonded.cpp:1151-1177 - libgromacs_mpi.so.9.0.0 [...]+		0.29	0.25	0.20	0.16	0.04	0.03	111	0.31	0.04
○Loop 18601 - bonded.cpp:1157-1177 - libgromacs_mpi.so.9.0.0		0.04	0.04	0.04	0.04	0.01	0.01	76	0.07	0.01
►solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)+	libgromacs_mpi.so.9.0.0	0.29	0.00	0.18	0.01	0.04	0.00	64	0.19	0.03	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 19053 - pme_solve.cpp:233-560 - libgromacs_mpi.so.9.0.0 [...]+		0.29	0.04	0.30	0.05	0.04	0.01	63	0.08	0.01
○Loop 19054 - pme_solve.cpp:498-510 - libgromacs_mpi.so.9.0.0		0.07	0.07	0.06	0.06	0.01	0.01	64	0.09	0.01
○Loop 19058 - pme_solve.cpp:472-474 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	8	0.00	0.00
○Loop 19056 - pme_solve.cpp:485-495 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.01	0.01	0.00	0.00	24	0.01	0.00
○Loop 19057 - pme_solve.cpp:472-474 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19063 - pme_solve.cpp:233-233 - libgromacs_mpi.so.9.0.0 [...]		0.08	0.08	0.06	0.06	0.01	0.01	64	0.10	0.01
○Loop 19062 - pme_solve.cpp:554-560 - libgromacs_mpi.so.9.0.0		0.02	0.02	0.02	0.02	0.00	0.00	51	0.04	0.00
○Loop 19052 - pme_solve.cpp:233-233 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.01	0.01	0.00	0.00	22	0.01	0.00
○Loop 19066 - pme_solve.cpp:521-530 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19067 - pme_solve.cpp:521-530 - libgromacs_mpi.so.9.0.0		0.01	0.01	0.01	0.01	0.00	0.00	36	0.03	0.00
○Loop 19065 - pme_solve.cpp:533-542 - libgromacs_mpi.so.9.0.0		0.02	0.02	0.03	0.03	0.00	0.00	50	0.04	0.01
○Loop 19060 - pme_solve.cpp:440-453 - libgromacs_mpi.so.9.0.0		0.02	0.02	0.02	0.02	0.00	0.00	51	0.03	0.00
○Loop 19055 - pme_solve.cpp:485-495 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19061 - pme_solve.cpp:554-560 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19064 - pme_solve.cpp:533-542 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19059 - pme_solve.cpp:456-469 - libgromacs_mpi.so.9.0.0		0.02	0.02	0.02	0.02	0.00	0.00	52	0.04	0.01
○mkl_dft_def_ownscDftFwd_Prime8_32fc	libmkl_def.so.2	0.29	0.29	0.17	0.17	0.04	0.04	64	0.17	0.02	Math (%): 100.00
○(anonymous namespace)::dih_angle_simd(float const () [3], int const, int const, int const, int const, float const, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat,...	libgromacs_mpi.so.9.0.0	0.29	0.29	0.19	0.19	0.04	0.04	103	0.38	0.05	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○mkl_dft_def_ownscDftInv_Prime8_32fc	libmkl_def.so.2	0.29	0.29	0.17	0.17	0.04	0.04	64	0.20	0.03	Math (%): 100.00
►reduceForces(nbnxn_atomdata_t, gmx::AtomLocality, Nbnxm::GridSet const&, float () [3]) [clone ._omp_fn.0]+	libgromacs_mpi.so.9.0.0	0.28	0.00	0.13	0.01	0.04	0.00	128	0.14	0.02	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 4092 - atomdata.cpp:1113-1257 - libgromacs_mpi.so.9.0.0 [...]+		0.27	0.00	0.13	0.01	0.04	0.00	6	0.00	0.00
○Loop 4094 - atomdata.cpp:1137-1143 - libgromacs_mpi.so.9.0.0 [...]		0.27	0.27	0.13	0.13	0.04	0.04	128	0.14	0.02
○Loop 4093 - atomdata.cpp:1127-1133 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 4095 - atomdata.cpp:1117-1123 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►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*,...+	libgromacs_mpi.so.9.0.0	0.27	0.00	0.25	0.01	0.04	0.00	102	0.42	0.05	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 18614 - bonded.cpp:2022-2124 - libgromacs_mpi.so.9.0.0 [...]+		0.27	0.20	0.27	0.20	0.04	0.03	99	0.31	0.04
○Loop 18615 - bonded.cpp:2072-2095 - libgromacs_mpi.so.9.0.0		0.07	0.07	0.06	0.06	0.01	0.01	87	0.12	0.02
►pme_calc_pidx_wrapper(gmx::ArrayRef<gmx::BasicVector<float> const>, float const () [3], PmeAtomComm) [clone ._omp_fn.0]+	libgromacs_mpi.so.9.0.0	0.25	0.00	0.15	0.01	0.03	0.00	64	0.17	0.02	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 19024 - pme_redistribute.cpp:81-134 - libgromacs_mpi.so.9.0.0 [...]+		0.25	0.00	0.19	0.01	0.03	0.00	9	0.03	0.00
○Loop 19026 - pme_redistribute.cpp:96-103 - libgromacs_mpi.so.9.0.0		0.12	0.12	0.08	0.08	0.02	0.02	64	0.13	0.02
○Loop 19025 - pme_redistribute.cpp:111-118 - libgromacs_mpi.so.9.0.0		0.13	0.13	0.09	0.09	0.02	0.02	64	0.12	0.02
►copy_rvec_to_nbat_real(int const, int, int, float const () [3], int, float*, int)+	libgromacs_mpi.so.9.0.0	0.25	0.04	0.10	0.03	0.03	0.00	128	0.12	0.02	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 4106 - atomdata.cpp:193-203 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 4108 - atomdata.cpp:226-236 - libgromacs_mpi.so.9.0.0		0.21	0.21	0.09	0.09	0.03	0.03	128	0.12	0.02
○Loop 4103 - atomdata.cpp:180-184 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 4109 - atomdata.cpp:161-163 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 4105 - atomdata.cpp:207-217 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 4110 - atomdata.cpp:154-158 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 4107 - atomdata.cpp:240-250 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 4104 - atomdata.cpp:172-176 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►do_redist_pos_coeffs(gmx_pme_t, t_commrec const, bool, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>)+	libgromacs_mpi.so.9.0.0	0.24	0.00	0.19	0.01	0.03	0.00	64	0.21	0.03	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 19036 - stl_vector.h:990-1936 - libgromacs_mpi.so.9.0.0 [...]+		0.24	0.01	0.21	0.01	0.03	0.00	25	0.01	0.00
○Loop 19040 - pme_redistribute.cpp:372-398 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19039 - stl_vector.h:1126-1126 - libgromacs_mpi.so.9.0.0 [...]		0.23	0.23	0.18	0.18	0.03	0.03	64	0.21	0.03
○Loop 19037 - stl_vector.h:1123-1126 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	8	0.00	0.00
○Loop 19041 - pme_redistribute.cpp:345-367 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19042 - pme_redistribute.cpp:294-298 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19038 - pme_redistribute.cpp:372-398 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.02	0.02	0.00	0.00	13	0.03	0.00
►Loop 19043 - pme_redistribute.cpp:145-149 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19044 - pme_redistribute.cpp:147-149 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►do_pairs(int, int, int const, t_iparams const, float const () [3], float () [4], float () [3], t_pbc const, float const, float, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<bool const>, gmx::ArrayRef<un...+	libgromacs_mpi.so.9.0.0	0.24	0.00	0.18	0.02	0.03	0.00	108	0.33	0.04	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 18782 - pairs.cpp:873-935 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 18778 - pairs.cpp:616-828 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 18777 - pairs.cpp:616-834 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 18776 - pairs.cpp:616-834 - libgromacs_mpi.so.9.0.0 [...]		0.02	0.02	0.02	0.02	0.00	0.00	53	0.04	0.01
►Loop 18780 - pairs.cpp:873-903 - libgromacs_mpi.so.9.0.0 [...]+		0.22	0.17	0.18	0.13	0.03	0.02	105	0.25	0.03
○Loop 18781 - pairs.cpp:879-903 - libgromacs_mpi.so.9.0.0 [...]		0.05	0.05	0.04	0.04	0.01	0.01	84	0.08	0.01
○Loop 18779 - pairs.cpp:616-828 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►gmx::lincs_update_atoms(gmx::Lincs, int, float, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>, float () [3])+	libgromacs_mpi.so.9.0.0	0.23	0.00	0.13	0.01	0.03	0.00	113	0.26	0.03	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 16655 - lincs.cpp:396-409 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 16656 - lincs.cpp:376-391 - libgromacs_mpi.so.9.0.0 [...]		0.23	0.23	0.13	0.13	0.03	0.03	112	0.26	0.03
○mkl_dft_def_owns_cRadix4FwdNorm_32fc	libmkl_def.so.2	0.22	0.22	0.14	0.14	0.03	0.03	64	0.16	0.02	Math (%): 100.00
○mkl_dft_def_owns_cRadix4InvNorm_32fc	libmkl_def.so.2	0.22	0.22	0.14	0.14	0.03	0.03	64	0.14	0.02	Math (%): 100.00
○MPIDIG_send_origin_cb	libmpi.so.12.0.0	0.20	0.20	0.07	0.07	0.03	0.03	188	0.10	0.01	MPI (%): 100.00
►dd_move_f(gmx_domdec_t, gmx::ForceWithShiftForces, gmx_wallcycle*)+	libgromacs_mpi.so.9.0.0	0.20	0.00	0.09	0.01	0.03	0.00	128	0.12	0.02	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 5742 - wallcycle.h:399-401 - libgromacs_mpi.so.9.0.0 [...]+		0.20	0.00	0.17	0.00	0.03	0.00	12	0.00	0.00
○Loop 5741 - domdec.cpp:367-460 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.01	0.01	0.00	0.00	21	0.02	0.00
►Loop 5743 - stl_vector.h:990-1258 - libgromacs_mpi.so.9.0.0 [...]+		0.19	0.01	0.13	0.01	0.02	0.00	31	0.02	0.00
○Loop 5745 - domdec.cpp:415-419 - libgromacs_mpi.so.9.0.0 [...]		0.17	0.17	0.08	0.08	0.02	0.02	128	0.11	0.01
○Loop 5748 - domdec.cpp:426-435 - libgromacs_mpi.so.9.0.0 [...]		0.01	0.01	0.02	0.02	0.00	0.00	31	0.04	0.01
○Loop 5746 - domdec.cpp:442-453 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 5749 - domdec.cpp:401-405 - libgromacs_mpi.so.9.0.0+		0.00	0.00	0.01	0.00	0.00	0.00	0	0.00	0.00
○Loop 5750 - domdec.cpp:403-405 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.01	0.01	0.00	0.00	4	0.02	0.00
○Loop 5747 - domdec.cpp:442-447 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 5744 - domdec_internal.h:348-369 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.02	0.02	0.00	0.00	11	0.02	0.00
►dd_pmeredist_f(gmx_pme_t, PmeAtomComm, gmx::ArrayRef<gmx::BasicVector<float> >, bool)+	libgromacs_mpi.so.9.0.0	0.19	0.00	0.11	0.03	0.03	0.00	64	0.15	0.02	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 19029 - pme_redistribute.cpp:261-430 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.01	0.01	0.00	0.00	9	0.01	0.00
○Loop 19028 - pme_redistribute.cpp:455-468 - libgromacs_mpi.so.9.0.0 [...]		0.19	0.19	0.11	0.11	0.03	0.03	64	0.14	0.02
○Loop 19027 - pme_redistribute.cpp:436-449 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone ._omp_fn.0]+	libgromacs_mpi.so.9.0.0	0.18	0.00	0.11	0.00	0.02	0.00	64	0.15	0.02	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 19146 - pme_spread.cpp:75-918 - libgromacs_mpi.so.9.0.0 [...]+		0.18	0.00	0.11	0.00	0.02	0.00	0	0.00	0.00
○Loop 19150 - pme_spread.cpp:104-145 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19151 - pme_spread.cpp:96-98 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19149 - pme_spread.cpp:154-156 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19147 - pme_spread.cpp:104-133 - libgromacs_mpi.so.9.0.0 [...]		0.18	0.18	0.11	0.11	0.02	0.02	64	0.15	0.02
○Loop 19148 - pme_spread.cpp:172-174 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○I_MPI_memcpy_sse	libmpi.so.12.0.0	0.18	0.18	0.08	0.08	0.02	0.02	191	0.11	0.02	MPI (%): 100.00
○mkl_dft_def_ownscDftInv_Fact3_32fc	libmkl_def.so.2	0.17	0.17	0.11	0.11	0.02	0.02	64	0.15	0.02	Math (%): 100.00
○mkl_dft_def_ownscDftFwd_Fact3_32fc	libmkl_def.so.2	0.16	0.16	0.12	0.12	0.02	0.02	64	0.16	0.02	Math (%): 100.00
○.plt.sec@start	libm.so.6	0.15	0.15	0.05	0.05	0.02	0.02	180	0.08	0.01	Math (%): 100.00
►int assignInteractionsForAtom<false>(AtomIndexSet const&, reverse_ilist_t const&, gmx_ga2la_t const&, gmx_domdec_zones_t const&, bool, int const, bool, float, t_pbc const, gmx::ArrayRef<gmx::BasicVector<float> const>, In...+	libgromacs_mpi.so.9.0.0	0.14	0.01	0.12	0.01	0.02	0.00	111	0.18	0.02	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 5960 - ga2la.h:112-114 - libgromacs_mpi.so.9.0.0 [...]+		0.13	0.06	0.13	0.05	0.02	0.01	90	0.09	0.01
○Loop 5962 - localtopology.cpp:506-537 - libgromacs_mpi.so.9.0.0 [...]		0.04	0.04	0.04	0.04	0.01	0.01	80	0.07	0.01
○Loop 5961 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...]		0.02	0.02	0.02	0.02	0.00	0.00	57	0.03	0.00
○Loop 5963 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.01	0.01	0.00	0.00	20	0.01	0.00
►dd_move_x(gmx_domdec_t, float const () [3], gmx::ArrayRef<gmx::BasicVector<float> >, gmx_wallcycle*)+	libgromacs_mpi.so.9.0.0	0.12	0.00	0.06	0.01	0.02	0.00	127	0.08	0.01	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 5734 - domdec.cpp:271-351 - libgromacs_mpi.so.9.0.0 [...]+		0.11	0.00	0.11	0.01	0.02	0.00	19	0.01	0.00
►Loop 5735 - domdec_internal.h:348-369 - libgromacs_mpi.so.9.0.0 [...]+		0.11	0.01	0.10	0.01	0.01	0.00	39	0.02	0.00
○Loop 5738 - domdec.cpp:289-291 - libgromacs_mpi.so.9.0.0		0.07	0.07	0.05	0.05	0.01	0.01	122	0.06	0.01
○Loop 5740 - domdec.cpp:297-302 - libgromacs_mpi.so.9.0.0 [...]		0.03	0.03	0.03	0.03	0.00	0.00	55	0.05	0.01
○Loop 5739 - domdec.cpp:309-318 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 5736 - domdec.cpp:341-345 - libgromacs_mpi.so.9.0.0+		0.00	0.00	0.01	0.00	0.00	0.00	0	0.00	0.00
○Loop 5737 - domdec.cpp:343-345 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.01	0.01	0.00	0.00	3	0.02	0.00
○mkl_dft_def_ownscDftFwd_Fact4_32fc	libmkl_def.so.2	0.11	0.11	0.08	0.08	0.01	0.01	64	0.11	0.02	Math (%): 100.00
○mkl_dft_def_ownscDftInv_Fact4_32fc	libmkl_def.so.2	0.11	0.11	0.08	0.08	0.01	0.01	64	0.13	0.02	Math (%): 100.00
○mkl_dft_def_owns_cCcsRecombine_32f	libmkl_def.so.2	0.10	0.10	0.07	0.07	0.01	0.01	64	0.10	0.01	Math (%): 100.00
○MPIDIG_send_target_msg_cb	libmpi.so.12.0.0	0.10	0.10	0.05	0.05	0.01	0.01	160	0.08	0.01	MPI (%): 100.00
○mkl_dft_def_owns_cRealRecombine_32f	libmkl_def.so.2	0.09	0.09	0.06	0.06	0.01	0.01	64	0.10	0.01	Math (%): 100.00
○__memset_avx512_unaligned_erms	libc.so.6	0.09	0.09	0.03	0.03	0.01	0.01	172	0.05	0.01	Memory (%): 100.00
○gomp_team_barrier_wait_end	libgomp.so.1.0.0	0.08	0.08	0.03	0.03	0.01	0.01	167	0.05	0.01	OMP (%): 100.00
○atanf	libm.so.6	0.08	0.08	0.07	0.07	0.01	0.01	88	0.10	0.01	Math (%): 100.00
►dd_move_x_specat(gmx_domdec_t const, gmx_domdec_specat_comm_t, float const () [3], gmx::BasicVector<float>, gmx::BasicVector<float>*, bool)+	libgromacs_mpi.so.9.0.0	0.08	0.00	0.05	0.01	0.01	0.00	124	0.08	0.01	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 5861 - domdec_specatomcomm.cpp:195-358 - libgromacs_mpi.so.9.0.0 [...]+		0.08	0.01	0.12	0.01	0.01	0.00	27	0.00	0.00
○Loop 5863 - domdec_specatomcomm.cpp:351-353 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 5865 - domdec_specatomcomm.cpp:301-323 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 5867 - domdec_specatomcomm.cpp:320-323 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 5860 - domdec_specatomcomm.cpp:224-315 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 5864 - domdec_specatomcomm.cpp:310-315 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 5868 - domdec_specatomcomm.cpp:279-291 - libgromacs_mpi.so.9.0.0 [...]+		0.01	0.01	0.03	0.02	0.00	0.00	32	0.02	0.00
○Loop 5870 - domdec_specatomcomm.cpp:285-288 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 5872 - domdec_specatomcomm.cpp:285-287 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	10	0.00	0.00
○Loop 5871 - domdec_specatomcomm.cpp:285-287 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.01	0.01	0.00	0.00	20	0.01	0.00
○Loop 5869 - domdec_specatomcomm.cpp:285-288 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 5866 - domdec_specatomcomm.cpp:304-304 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 5873 - domdec_specatomcomm.cpp:202-305 - libgromacs_mpi.so.9.0.0 [...]+		0.06	0.01	0.08	0.01	0.01	0.00	32	0.01	0.00
►Loop 5874 - domdec_specatomcomm.cpp:222-305 - libgromacs_mpi.so.9.0.0 [...]+		0.01	0.00	0.02	0.00	0.00	0.00	9	0.00	0.00
○Loop 5876 - domdec_specatomcomm.cpp:238-241 - libgromacs_mpi.so.9.0.0 [...]		0.01	0.01	0.01	0.01	0.00	0.00	24	0.02	0.00
○Loop 5875 - domdec_specatomcomm.cpp:247-252 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 5878 - domdec_specatomcomm.cpp:229-232 - libgromacs_mpi.so.9.0.0		0.04	0.04	0.04	0.04	0.01	0.01	101	0.06	0.01
○Loop 5877 - domdec_specatomcomm.cpp:226-229 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	1	0.00	0.00
○Loop 5862 - domdec_specatomcomm.cpp:351-353 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►gmx_sum_qgrid_dd(gmx_pme_t, float, int)+	libgromacs_mpi.so.9.0.0	0.08	0.00	0.06	0.01	0.01	0.00	63	0.10	0.01	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 18932 - stl_vector.h:990-1258 - libgromacs_mpi.so.9.0.0 [...]+		0.01	0.00	0.02	0.00	0.00	0.00	8	0.00	0.00
○Loop 18933 - pme_grid.cpp:254-256 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 18934 - pme_grid.cpp:254-256 - libgromacs_mpi.so.9.0.0		0.01	0.01	0.02	0.02	0.00	0.00	35	0.04	0.00
►Loop 18935 - pme_grid.cpp:80-172 - libgromacs_mpi.so.9.0.0 [...]+		0.06	0.00	0.12	0.01	0.01	0.00	6	0.02	0.00
►Loop 18943 - pme_grid.cpp:120-172 - libgromacs_mpi.so.9.0.0 [...]+		0.02	0.00	0.03	0.00	0.00	0.00	4	0.00	0.00
►Loop 18942 - pme_grid.cpp:120-172 - libgromacs_mpi.so.9.0.0 [...]+		0.02	0.00	0.03	0.01	0.00	0.00	15	0.01	0.00
○Loop 18944 - pme_grid.cpp:166-171 - libgromacs_mpi.so.9.0.0		0.01	0.01	0.02	0.02	0.00	0.00	42	0.04	0.00
○Loop 18941 - pme_grid.cpp:166-171 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 18945 - pme_grid.cpp:163-166 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 18948 - pme_grid.cpp:100-127 - libgromacs_mpi.so.9.0.0 [...]+		0.03	0.00	0.05	0.01	0.00	0.00	6	0.02	0.00
○Loop 18950 - pme_grid.cpp:120-123 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 18947 - pme_grid.cpp:120-127 - libgromacs_mpi.so.9.0.0 [...]+		0.03	0.00	0.04	0.01	0.00	0.00	16	0.02	0.00
○Loop 18946 - pme_grid.cpp:123-127 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 18949 - pme_grid.cpp:123-126 - libgromacs_mpi.so.9.0.0		0.02	0.02	0.03	0.03	0.00	0.00	58	0.05	0.01
►Loop 18938 - pme_grid.cpp:160-172 - libgromacs_mpi.so.9.0.0 [...]+		0.01	0.00	0.02	0.00	0.00	0.00	3	0.00	0.00
►Loop 18937 - pme_grid.cpp:160-172 - libgromacs_mpi.so.9.0.0 [...]+		0.01	0.00	0.02	0.00	0.00	0.00	8	0.00	0.00
○Loop 18939 - pme_grid.cpp:166-171 - libgromacs_mpi.so.9.0.0		0.01	0.01	0.01	0.01	0.00	0.00	36	0.02	0.00
○Loop 18936 - pme_grid.cpp:166-171 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 18940 - pme_grid.cpp:163-166 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*) [clone ._omp_fn.0]+	libgromacs_mpi.so.9.0.0	0.07	0.00	0.04	0.00	0.01	0.00	122	0.05	0.01	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 16820 - mdatoms.cpp:276-438 - libgromacs_mpi.so.9.0.0 [...]+		0.07	0.07	0.04	0.04	0.01	0.01	122	0.05	0.01
○Loop 16821 - mtop_lookup.h:91-106 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	6	0.00	0.00
►void make_exclusions_zone<false>(gmx::ArrayRef<int const>, gmx_ga2la_t const&, gmx_domdec_zones_t const&, gmx::ArrayRef<MolblockIndices const>, std::vector<gmx_moltype_t, std::allocator<gmx_moltype_t> > const&, gmx...+	libgromacs_mpi.so.9.0.0	0.07	0.00	0.03	0.00	0.01	0.00	115	0.06	0.01	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 5978 - stl_vector.h:990-1936 - libgromacs_mpi.so.9.0.0 [...]+		0.07	0.01	0.06	0.02	0.01	0.00	56	0.02	0.00
►Loop 5979 - hashedmap.h:274-282 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 5980 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 5981 - hashedmap.h:274-282 - libgromacs_mpi.so.9.0.0 [...]+		0.05	0.03	0.04	0.02	0.01	0.00	83	0.03	0.00
○Loop 5982 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...]		0.02	0.02	0.02	0.02	0.00	0.00	79	0.03	0.00
○unknown_function	libgromacs_mpi.so.9.0.0	0.07	0.00	0.03	0.00	0.01	0.00	160	0.05	0.01	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00
○MPI_Waitall	libmpi.so.12.0.0	0.06	0.06	0.03	0.03	0.01	0.01	144	0.05	0.01	MPI (%): 100.00
○void do_dih_fup<(BondedKernelFlavor)2>(int, int, int, int, float, float, float, float, float, float, float () [4], float () [3], t_pbc const, float const (*) [3], int, int, int) [clone .isra.0]	libgromacs_mpi.so.9.0.0	0.06	0.06	0.07	0.07	0.01	0.01	87	0.10	0.01	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○evaluate_single(float, float, float const, float, float, float, float, float, float*)	libgromacs_mpi.so.9.0.0	0.06	0.06	0.05	0.05	0.01	0.01	82	0.09	0.01	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))\|\|(!(1)), float>::type (anonymous namespace)::angles<(BondedKernelFlavor)2>(int, int const, t_iparams const, float const () [3], float () [4], float () [3], t_pbc const, flo...+	libgromacs_mpi.so.9.0.0	0.05	0.00	0.05	0.00	0.01	0.00	85	0.08	0.01	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 18639 - bonded.cpp:444-1084 - libgromacs_mpi.so.9.0.0 [...]		0.05	0.05	0.05	0.05	0.01	0.01	85	0.08	0.01
►copy_pmegrid_to_fftgrid(gmx_pme_t const, float const, float*, int)+	libgromacs_mpi.so.9.0.0	0.05	0.00	0.04	0.00	0.01	0.00	62	0.07	0.01	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 18953 - pme_grid.cpp:271-350 - libgromacs_mpi.so.9.0.0 [...]+		0.05	0.00	0.06	0.00	0.01	0.00	2	0.00	0.00
►Loop 18952 - pme_grid.cpp:271-350 - libgromacs_mpi.so.9.0.0 [...]+		0.05	0.01	0.06	0.01	0.01	0.00	20	0.03	0.00
○Loop 18954 - pme_grid.cpp:303-309 - libgromacs_mpi.so.9.0.0 [...]		0.05	0.05	0.04	0.04	0.01	0.01	61	0.07	0.01
○Loop 18951 - pme_grid.cpp:303-309 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○MPIDI_GPU_request_free	libmpi.so.12.0.0	0.05	0.05	0.03	0.03	0.01	0.01	127	0.05	0.01	MPI (%): 100.00
►setup_dd_communication(gmx_domdec_t, float () [3], gmx_ddbox_t, t_forcerec, t_state*) [clone ._omp_fn.0]+	libgromacs_mpi.so.9.0.0	0.05	0.00	0.03	0.00	0.01	0.00	115	0.05	0.01	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 6075 - partition.cpp:1435-2046 - libgromacs_mpi.so.9.0.0 [...]+		0.05	0.00	0.04	0.00	0.01	0.00	1	0.00	0.00
►Loop 6077 - partition.cpp:1435-2024 - libgromacs_mpi.so.9.0.0 [...]+		0.05	0.05	0.03	0.03	0.01	0.01	114	0.05	0.01
○Loop 6087 - partition.cpp:1698-1700 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6080 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6088 - partition.cpp:1680-1685 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6079 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6085 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6078 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6082 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6083 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6081 - ga2la.h:112-126 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6090 - partition.cpp:1667-1669 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6086 - partition.cpp:1741-1743 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6084 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6089 - partition.cpp:1680-1688 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6076 - new_allocator.h:187-187 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►copy_fftgrid_to_pmegrid(gmx_pme_t, float const, float*, int, int, int)+	libgromacs_mpi.so.9.0.0	0.05	0.00	0.05	0.00	0.01	0.00	62	0.07	0.01	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 18956 - pme_grid.cpp:395-419 - libgromacs_mpi.so.9.0.0 [...]+		0.05	0.01	0.06	0.01	0.01	0.00	34	0.02	0.00
○Loop 18957 - pme_grid.cpp:402-404 - libgromacs_mpi.so.9.0.0		0.04	0.04	0.04	0.04	0.01	0.01	59	0.07	0.01
○Loop 18955 - pme_grid.cpp:402-404 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○__acosf_finite	libm.so.6	0.05	0.05	0.04	0.04	0.01	0.01	83	0.07	0.01	Math (%): 100.00
►setupForceOutputs(ForceHelperBuffers, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::DomainLifetimeWorkload const&, gmx::StepWorkload const&, bool, gmx_wallcycle) [clone .isra.0]+	libgromacs_mpi.so.9.0.0	0.05	0.00	0.03	0.01	0.01	0.00	107	0.04	0.01	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 17049 - sim_util.cpp:467-467 - libgromacs_mpi.so.9.0.0 [...]		0.04	0.04	0.02	0.02	0.00	0.00	101	0.04	0.00
○Loop 17048 - sim_util.cpp:467-467 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 17047 - sim_util.cpp:467-467 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.01	0.01	0.00	0.00	20	0.02	0.00
►void calc_ke_part_normal<false>(float const () [3], gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> const>, float const () [3], t_grpopts const, t_mdatoms const, gmx_ekindata_t, t_nrnb...+	libgromacs_mpi.so.9.0.0	0.04	0.00	0.03	0.00	0.01	0.00	102	0.05	0.01	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 16754 - md_support.cpp:147-219 - libgromacs_mpi.so.9.0.0 [...]+		0.04	0.00	0.04	0.00	0.01	0.00	2	0.00	0.00
○Loop 16755 - md_support.cpp:181-219 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 16756 - md_support.cpp:181-219 - libgromacs_mpi.so.9.0.0 [...]		0.04	0.04	0.03	0.03	0.01	0.01	102	0.04	0.01
○Loop 16757 - md_support.cpp:166-166 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►do_update_md(int, int, float, long, float const () [3], float () [3], float () [3], float const () [3], TemperatureCoupling, PressureCoupling, int, int, gmx::ArrayRef<unsigned short const>, AccelerationType, gmx::ArrayRef<unsigned short const&...+	libgromacs_mpi.so.9.0.0	0.04	0.00	0.02	0.00	0.01	0.00	105	0.04	0.01	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 17152 - matrix.h:163-163 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 17162 - update.cpp:394-405 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 17149 - avx512fintrin.h:431-13377 - libgromacs_mpi.so.9.0.0 [...]		0.03	0.03	0.02	0.02	0.00	0.00	87	0.03	0.00
○Loop 17155 - update.cpp:615-686 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 17151 - matrix.h:163-163 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 17148 - update.cpp:394-405 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 17156 - update.cpp:394-405 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 17161 - update.cpp:383-405 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 17158 - update.cpp:379-405 - libgromacs_mpi.so.9.0.0 [...]		0.01	0.01	0.01	0.01	0.00	0.00	41	0.02	0.00
○Loop 17150 - matrix.h:163-163 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 17163 - update.cpp:394-405 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 17154 - update.cpp:615-686 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 17157 - update.cpp:379-405 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 17153 - matrix.h:163-163 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 17164 - matrix.h:163-163 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 17159 - avx512fintrin.h:431-13377 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 17160 - update.cpp:379-405 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 17165 - matrix.h:163-163 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○MPIR_Sendrecv_impl	libmpi.so.12.0.0	0.04	0.04	0.02	0.02	0.01	0.01	123	0.03	0.00	MPI (%): 100.00
►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))\|\|(!(1)), float>::type (anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const, t_iparams const, float const () [3], float () [4], float () [3], t_pbc const, floa...+	libgromacs_mpi.so.9.0.0	0.04	0.00	0.05	0.00	0.01	0.00	75	0.07	0.01	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 18650 - bonded.cpp:1912-2010 - libgromacs_mpi.so.9.0.0 [...]+		0.04	0.01	0.06	0.02	0.01	0.00	42	0.03	0.00
○Loop 18651 - bonded.cpp:1913-2008 - libgromacs_mpi.so.9.0.0 [...]		0.03	0.03	0.04	0.04	0.00	0.00	61	0.06	0.01
►Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>) [clone .constprop.2] [clone .isra.0]+	libgromacs_mpi.so.9.0.0	0.04	0.00	0.02	0.00	0.01	0.00	105	0.04	0.00	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 4251 - grid.cpp:416-421 - libgromacs_mpi.so.9.0.0		0.03	0.03	0.02	0.02	0.00	0.00	87	0.03	0.00
►Loop 4252 - grid.cpp:330-408 - libgromacs_mpi.so.9.0.0 [...]+		0.01	0.01	0.02	0.01	0.00	0.00	32	0.01	0.00
○Loop 4253 - grid.cpp:386-390 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.01	0.01	0.00	0.00	11	0.01	0.00
○Loop 4254 - grid.cpp:398-401 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○mkl_dft_def_ownscDftInv_PrimeFact_32fc	libmkl_def.so.2	0.04	0.04	0.04	0.04	0.01	0.01	60	0.06	0.01	Math (%): 100.00
○__I_MPI___intel_avx_rep_memcpy	libmpifort.so.12.0.0	0.04	0.04	0.03	0.03	0.01	0.01	110	0.04	0.01	MPI (%): 100.00
►setup_specat_communication(gmx_domdec_t, std::vector<int, std::allocator<int> >, gmx_domdec_specat_comm_t, gmx::HashedMap<int>, int, int, char const, char const)+	libgromacs_mpi.so.9.0.0	0.04	0.00	0.02	0.00	0.01	0.00	99	0.04	0.01	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 5879 - domdec_specatomcomm.cpp:595-599 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 5880 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 5884 - domdec_specatomcomm.cpp:410-585 - libgromacs_mpi.so.9.0.0 [...]+		0.04	0.00	0.07	0.00	0.01	0.00	0	0.00	0.00
►Loop 5885 - hashedmap.h:144-204 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.01	0.00	0.00	0.00	3	0.00	0.00
○Loop 5887 - hashedmap.h:187-189 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 5886 - stl_vector.h:1126-1126 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	1	0.00	0.00
►Loop 5883 - stl_bvector.h:96-1580 - libgromacs_mpi.so.9.0.0 [...]+		0.04	0.00	0.06	0.00	0.00	0.00	2	0.00	0.00
○Loop 5888 - domdec_specatomcomm.cpp:527-529 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 5893 - ga2la.h:112-126 - libgromacs_mpi.so.9.0.0 [...]+		0.01	0.00	0.02	0.00	0.00	0.00	18	0.00	0.00
○Loop 5894 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	9	0.00	0.00
○Loop 5895 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.01	0.01	0.00	0.00	22	0.01	0.00
○Loop 5896 - stl_bvector.h:96-300 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 5889 - stl_bvector.h:105-1050 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	2	0.00	0.00
○Loop 5897 - stl_bvector.h:96-411 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 5890 - ga2la.h:112-126 - libgromacs_mpi.so.9.0.0 [...]+		0.03	0.01	0.03	0.01	0.00	0.00	33	0.01	0.00
○Loop 5892 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...]		0.01	0.01	0.01	0.01	0.00	0.00	58	0.02	0.00
○Loop 5891 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	23	0.00	0.00
►Loop 5881 - domdec_specatomcomm.cpp:582-585 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 5882 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 5899 - domdec_specatomcomm.cpp:389-628 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 5898 - stl_vector.h:990-1936 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	1	0.00	0.00
►do_force(_IO_FILE, t_commrec const, gmx_multisim_t const, t_inputrec const&, gmx::MDModulesNotifiers const&, gmx::Awh, gmx_enfrot, gmx::ImdSession, pull_t, long, t_nrnb, gmx_wallcycle, gmx_localtop_t const, float const (*) [3], gmx::Array...+	libgromacs_mpi.so.9.0.0	0.04	0.04	0.03	0.03	0.01	0.01	102	0.04	0.01	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 17054 - wallcycle.h:391-498 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 17056 - sim_util.cpp:2024-2028 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 17055 - stl_vector.h:1126-1263 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	1	0.00	0.00
○Loop 17052 - sim_util.cpp:491-500 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 17057 - stl_iterator.h:1111-1111 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 17053 - wallcycle.h:441-441 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○malloc_consolidate	libc.so.6	0.04	0.04	0.02	0.02	0.01	0.01	122	0.03	0.00	Memory (%): 100.00
►nbnxn_atomdata_copy_x_to_nbat_x(Nbnxm::GridSet const&, gmx::AtomLocality, float const () [3], nbnxn_atomdata_t) [clone ._omp_fn.0]+	libgromacs_mpi.so.9.0.0	0.04	0.00	0.02	0.00	0.00	0.00	102	0.04	0.00	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 4112 - atomdata.cpp:965-978 - libgromacs_mpi.so.9.0.0 [...]+		0.04	0.00	0.04	0.00	0.00	0.00	0	0.00	0.00
►Loop 4111 - grid.h:233-266 - libgromacs_mpi.so.9.0.0 [...]+		0.04	0.01	0.04	0.02	0.00	0.00	44	0.02	0.00
○Loop 4113 - grid.h:262-266 - libgromacs_mpi.so.9.0.0 [...]		0.02	0.02	0.02	0.02	0.00	0.00	85	0.03	0.00
►void gmx::settleTemplate<gmx::SimdFloat, gmx::SimdFBool, 16, float const, true, true>(gmx::SettleData const&, int, int, float const, float const, float, float, float, float () [3], bool*)+	libgromacs_mpi.so.9.0.0	0.04	0.00	0.03	0.00	0.00	0.00	93	0.05	0.01	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 17000 - settle.cpp:425-676 - libgromacs_mpi.so.9.0.0 [...]		0.04	0.04	0.03	0.03	0.00	0.00	90	0.05	0.01
○mkl_dft_def_ownscDftFwd_PrimeFact_32fc	libmkl_def.so.2	0.04	0.04	0.03	0.03	0.00	0.00	61	0.05	0.01	Math (%): 100.00
►gmx::Update::Impl::finish_update(t_inputrec const&, bool, int, gmx::ArrayRef<unsigned short const>, t_state, gmx_wallcycle, bool) [clone ._omp_fn.0]+	libgromacs_mpi.so.9.0.0	0.03	0.00	0.02	0.00	0.00	0.00	98	0.03	0.00	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 17129 - update.cpp:1706-1706 - libgromacs_mpi.so.9.0.0		0.03	0.03	0.02	0.02	0.00	0.00	96	0.03	0.00
►void gmx::(anonymous namespace)::reduceThreadForceBuffers<float [4]>(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<std::unique_ptr<gmx::ThreadForceBuffer<float [4]>, std::default_delete<gmx::ThreadForceBuffer<fl...+	libgromacs_mpi.so.9.0.0	0.03	0.00	0.03	0.00	0.00	0.00	86	0.04	0.01	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 6799 - threaded_force_buffer.cpp:178-182 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 6794 - threaded_force_buffer.cpp:178-211 - libgromacs_mpi.so.9.0.0 [...]+		0.03	0.03	0.03	0.03	0.00	0.00	84	0.04	0.00
○Loop 6796 - vec.h:141-145 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 6798 - threaded_force_buffer.cpp:207-211 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6797 - threaded_force_buffer.cpp:209-211 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6793 - threaded_force_buffer.cpp:182-186 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6795 - threaded_force_buffer.cpp:200-200 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○MPI_Isend	libmpi.so.12.0.0	0.03	0.03	0.02	0.02	0.00	0.00	107	0.03	0.00	MPI (%): 100.00
○MPI_T_category_get_pvars	libmpi.so.12.0.0	0.03	0.03	0.02	0.02	0.00	0.00	101	0.04	0.00	MPI (%): 100.00
○MPIDIG_progress_compl_list	libmpi.so.12.0.0	0.03	0.03	0.02	0.02	0.00	0.00	111	0.03	0.00	MPI (%): 100.00
○dih_angle(float const, float const, float const, float const, t_pbc const, float, float, float, float, float, int, int, int*)	libgromacs_mpi.so.9.0.0	0.03	0.03	0.03	0.03	0.00	0.00	71	0.05	0.01	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►getVerletBufferAtomtypes(gmx_mtop_t const&, bool, bool)+	libgromacs_mpi.so.9.0.0	0.03	0.00	0.02	0.00	0.00	0.00	95	0.03	0.00	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 16076 - hashtable_policy.h:377-2038 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 16077 - stl_vector.h:990-1126 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 16089 - new_allocator.h:187-187 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 16078 - vector.tcc:114-123 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 16114 - calc_verletbuf.cpp:167-548 - libgromacs_mpi.so.9.0.0 [...]+		0.03	0.00	0.06	0.00	0.00	0.00	0	0.00	0.00
►Loop 16115 - calc_verletbuf.cpp:167-548 - libgromacs_mpi.so.9.0.0 [...]+		0.03	0.00	0.06	0.00	0.00	0.00	0	0.00	0.00
○Loop 16118 - calc_verletbuf.h:288-328 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.01	0.01	0.00	0.00	18	0.01	0.00
○Loop 16117 - calc_verletbuf.cpp:470-474 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 16106 - calc_verletbuf.cpp:169-404 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.01	0.00	0.00	0.00	0	0.00	0.00
○Loop 16107 - functions.h:321-321 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 16109 - calc_verletbuf.cpp:169-404 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.01	0.00	0.00	0.00	0	0.00	0.00
○Loop 16111 - calc_verletbuf.cpp:169-381 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	3	0.00	0.00
○Loop 16113 - calc_verletbuf.cpp:323-381 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 16116 - calc_verletbuf.cpp:323-404 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 16112 - calc_verletbuf.cpp:323-381 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 16108 - calc_verletbuf.cpp:325-391 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 16110 - calc_verletbuf.cpp:325-391 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	3	0.00	0.00
►Loop 16098 - stl_iterator.h:1076-1077 - libgromacs_mpi.so.9.0.0 [...]+		0.02	0.00	0.04	0.00	0.00	0.00	0	0.00	0.00
►Loop 16094 - calc_verletbuf.cpp:169-288 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 16101 - calc_verletbuf.cpp:169-206 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 16099 - stl_algobase.h:238-238 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 16100 - calc_verletbuf.cpp:200-203 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 16087 - stl_construct.h:119-119 - libgromacs_mpi.so.9.0.0 [...]+		0.02	0.00	0.04	0.00	0.00	0.00	0	0.00	0.00
○Loop 16102 - stl_iterator.h:1076-1077 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	1	0.00	0.00
○Loop 16092 - calc_verletbuf.cpp:167-474 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 16093 - calc_verletbuf.cpp:186-188 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 16088 - new_allocator.h:130-187 - libgromacs_mpi.so.9.0.0 [...]+		0.02	0.00	0.03	0.00	0.00	0.00	0	0.00	0.00
►Loop 16079 - hashtable.h:311-2600 - libgromacs_mpi.so.9.0.0 [...]+		0.02	0.00	0.03	0.00	0.00	0.00	0	0.00	0.00
►Loop 16081 - new_allocator.h:130-187 - libgromacs_mpi.so.9.0.0 [...]+		0.02	0.00	0.03	0.00	0.00	0.00	0	0.00	0.00
►Loop 16082 - hashtable.h:311-2172 - libgromacs_mpi.so.9.0.0 [...]+		0.02	0.02	0.03	0.01	0.00	0.00	76	0.02	0.00
○Loop 16086 - calc_verletbuf.cpp:167-543 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	1	0.00	0.00
○Loop 16084 - new_allocator.h:168-168 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 16083 - calc_verletbuf.h:257-299 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.01	0.01	0.00	0.00	12	0.01	0.00
○Loop 16085 - calc_verletbuf.h:257-259 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 16090 - hashtable.h:2575-2592 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 16091 - hashtable.h:2575-2592 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 16080 - new_allocator.h:134-134 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 16103 - calc_verletbuf.h:288-328 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 16096 - stl_construct.h:119-119 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 16097 - calc_verletbuf.cpp:260-277 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 16095 - stl_construct.h:119-119 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	3	0.00	0.00
○Loop 16104 - calc_verletbuf.h:288-328 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 16105 - calc_verletbuf.h:288-328 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○MPID_Progress_idle_timer_tick	libmpi.so.12.0.0	0.03	0.03	0.02	0.02	0.00	0.00	85	0.04	0.00	MPI (%): 100.00
○__atan2f_finite	libm.so.6	0.03	0.03	0.03	0.03	0.00	0.00	69	0.05	0.01	Math (%): 100.00
►void get_cell_range<1>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int, int)+	libgromacs_mpi.so.9.0.0	0.03	0.02	0.02	0.01	0.00	0.00	91	0.03	0.00	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 5131 - pairlist.cpp:291-295 - libgromacs_mpi.so.9.0.0		0.01	0.01	0.01	0.01	0.00	0.00	57	0.01	0.00
○Loop 5132 - pairlist.cpp:283-286 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	3	0.00	0.00
○bond_angle(float const, float const, float const, t_pbc const, float, float, float, int, int*)	libgromacs_mpi.so.9.0.0	0.03	0.03	0.03	0.03	0.00	0.00	65	0.05	0.01	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○DftiComputeBackward	libmkl_intel_lp64.so.2	0.02	0.02	0.03	0.03	0.00	0.00	51	0.05	0.01	Math (%): 100.00
○DftiComputeForward	libmkl_intel_lp64.so.2	0.02	0.02	0.02	0.02	0.00	0.00	57	0.05	0.01	Math (%): 100.00
►gmx::LegacySimulator::do_md()+	libgromacs_mpi.so.9.0.0	0.02	0.00	0.02	0.00	0.00	0.00	79	0.03	0.00	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 19521 - md.cpp:554-2136 - libgromacs_mpi.so.9.0.0 [...]+		0.02	0.01	0.04	0.01	0.00	0.00	31	0.00	0.00
►Loop 19513 - stl_vector.h:367-386 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 19512 - md.cpp:1515-1739 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 19511 - md.cpp:1515-1739 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19510 - enumerationhelpers.h:204-204 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19514 - stl_vector.h:367-386 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19507 - md.cpp:1030-1030 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 19516 - md.cpp:554-1739 - libgromacs_mpi.so.9.0.0 [...]+		0.01	0.01	0.02	0.01	0.00	0.00	38	0.01	0.00
►Loop 19515 - wallcycle.h:391-498 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.01	0.01	0.00	0.00	17	0.01	0.00
○Loop 19520 - stophandler.h:153-159 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19509 - stl_algobase.h:398-441 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19503 - stl_algobase.h:398-441 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19517 - vec.h:204-204 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19519 - md.cpp:554-566 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19504 - enumerationhelpers.h:204-204 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19518 - stl_vector.h:1258-1263 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 19505 - md.cpp:1088-1691 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.01	0.00	0.00	0.00	0	0.00	0.00
►Loop 19506 - wallcycle.h:391-498 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.01	0.01	0.00	0.00	21	0.01	0.00
○Loop 19508 - commrec.h:189-189 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	3	0.00	0.00
○Loop 19502 - stl_construct.h:162-162 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19501 - enumerationhelpers.h:204-204 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►void get_cell_range<0>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int, int)+	libgromacs_mpi.so.9.0.0	0.02	0.01	0.02	0.01	0.00	0.00	81	0.03	0.00	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 5133 - pairlist.cpp:291-295 - libgromacs_mpi.so.9.0.0		0.01	0.01	0.01	0.01	0.00	0.00	38	0.01	0.00
○Loop 5134 - pairlist.cpp:283-286 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	1	0.00	0.00
►clearDDStateIndices(gmx_domdec_t*, bool)+	libgromacs_mpi.so.9.0.0	0.02	0.00	0.02	0.00	0.00	0.00	71	0.03	0.00	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 6091 - ga2la.h:156-158 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6093 - hashedmap.h:290-293 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6096 - stl_vector.h:1126-1126 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6092 - hashedmap.h:104-106 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 6094 - ga2la.h:99-99 - libgromacs_mpi.so.9.0.0 [...]+		0.02	0.00	0.03	0.00	0.00	0.00	10	0.00	0.00
○Loop 6095 - hashedmap.h:232-255 - libgromacs_mpi.so.9.0.0 [...]		0.02	0.02	0.02	0.02	0.00	0.00	68	0.03	0.00
►Nbnxm::Grid::fillCell(Nbnxm::GridSetData, nbnxn_atomdata_t, int, int, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, Nbnxm::BoundingBox*)+	libgromacs_mpi.so.9.0.0	0.02	0.01	0.02	0.01	0.00	0.00	77	0.03	0.00	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 4243 - grid.cpp:923-925 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 4241 - grid.cpp:634-634 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 4237 - grid.cpp:505-505 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 4242 - grid.cpp:913-917 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 4240 - grid.cpp:599-599 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 4239 - grid.cpp:477-477 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 4244 - grid.cpp:818-868 - libgromacs_mpi.so.9.0.0 [...]+		0.01	0.01	0.01	0.01	0.00	0.00	54	0.02	0.00
○Loop 4245 - grid.cpp:825-836 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 4238 - grid.cpp:532-532 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○MPIDI_GPU_request_complete	libmpi.so.12.0.0	0.02	0.02	0.01	0.01	0.00	0.00	85	0.02	0.00	MPI (%): 100.00
○MPIR_Waitall	libmpi.so.12.0.0	0.02	0.02	0.03	0.03	0.00	0.00	52	0.05	0.01	MPI (%): 100.00
○_int_free	libc.so.6	0.02	0.02	0.02	0.02	0.00	0.00	82	0.02	0.00	Memory (%): 100.00
○MPIR_Sendrecv_replace_impl	libmpi.so.12.0.0	0.02	0.02	0.02	0.02	0.00	0.00	73	0.03	0.00	MPI (%): 100.00
►gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()+	libgromacs_mpi.so.9.0.0	0.02	0.00	0.02	0.01	0.00	0.00	62	0.03	0.00	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 6813 - stl_algobase.h:918-919 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	2	0.00	0.00
○Loop 6812 - threaded_force_buffer.cpp:90-94 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	3	0.00	0.00
○Loop 6814 - threaded_force_buffer.cpp:78-81 - libgromacs_mpi.so.9.0.0 [...]		0.02	0.02	0.02	0.02	0.00	0.00	53	0.03	0.00
○_int_malloc	libc.so.6	0.02	0.02	0.01	0.01	0.00	0.00	76	0.02	0.00	Memory (%): 100.00
○MPIR_Request_completion_processing	libmpi.so.12.0.0	0.02	0.02	0.02	0.02	0.00	0.00	63	0.03	0.00	MPI (%): 100.00
►calc_x_times_f(int, float const () [3], float const () [3], bool, float const () [3], float () [3])+	libgromacs_mpi.so.9.0.0	0.02	0.00	0.01	0.00	0.00	0.00	67	0.02	0.00	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 16148 - calcvir.cpp:61-81 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 16149 - calcvir.cpp:61-67 - libgromacs_mpi.so.9.0.0 [...]		0.02	0.02	0.01	0.01	0.00	0.00	67	0.02	0.00
►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*...+	libgromacs_mpi.so.9.0.0	0.02	0.00	0.04	0.00	0.00	0.00	32	0.08	0.01	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 18616 - bonded.cpp:2179-2254 - libgromacs_mpi.so.9.0.0 [...]+		0.02	0.01	0.05	0.03	0.00	0.00	26	0.06	0.01
○Loop 18617 - bonded.cpp:2185-2213 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.01	0.01	0.00	0.00	19	0.03	0.00
○MPI_Sendrecv	libmpi.so.12.0.0	0.02	0.02	0.01	0.01	0.00	0.00	75	0.02	0.00	MPI (%): 100.00
○mkl_dft_def_ippsFFTInv_CCSToR_32f	libmkl_def.so.2	0.02	0.02	0.02	0.02	0.00	0.00	50	0.04	0.01	Math (%): 100.00
○MPI_Irecv	libmpi.so.12.0.0	0.02	0.02	0.01	0.01	0.00	0.00	72	0.02	0.00	MPI (%): 100.00
○compute_1d_small_fwd	libmkl_def.so.2	0.02	0.02	0.02	0.02	0.00	0.00	45	0.04	0.01	Math (%): 100.00
○MPI_Recv	libmpi.so.12.0.0	0.02	0.02	0.01	0.01	0.00	0.00	68	0.02	0.00	MPI (%): 100.00
►atomInMolblockFromGlobalAtomnr(gmx::ArrayRef<MolblockIndices const>, int)+	libgromacs_mpi.so.9.0.0	0.02	0.01	0.02	0.01	0.00	0.00	62	0.02	0.00	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 5939 - stl_algo.h:574-583 - libgromacs_mpi.so.9.0.0 [...]		0.01	0.01	0.02	0.02	0.00	0.00	31	0.02	0.00
►gmx_pme_do(gmx_pme_t*, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<flo...+	libgromacs_mpi.so.9.0.0	0.02	0.01	0.02	0.01	0.00	0.00	46	0.04	0.01	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 18892 - pme.cpp:1156-1159 - libgromacs_mpi.so.9.0.0+		0.00	0.00	0.00	0.00	0.00	0.00	1	0.00	0.00
○Loop 18893 - pme.cpp:1156-1159 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 18872 - pme.cpp:1202-1417 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 18873 - pme.cpp:1664-1679 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.01	0.01	0.00	0.00	6	0.02	0.00
○Loop 18891 - pme.cpp:1202-1417 - libgromacs_mpi.so.9.0.0 [...]		0.01	0.01	0.01	0.01	0.00	0.00	30	0.03	0.00
►Loop 18876 - pme.cpp:1092-1664 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 18889 - pme.cpp:1472-1474 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 18883 - pme.cpp:1092-1097 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 18874 - pme.cpp:1104-1524 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 18881 - pme.cpp:1104-1106 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 18882 - pme.cpp:1104-1106 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 18887 - pme.cpp:1479-1481 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 18880 - pme.cpp:1092-1097 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 18884 - pme.cpp:1094-1097 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 18885 - new_allocator.h:187-187 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 18879 - pme.cpp:1092-1097 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 18888 - pme.cpp:1481-1481 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 18886 - new_allocator.h:187-187 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 18890 - pme.cpp:1474-1474 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 18875 - pme.cpp:1104-1664 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 18877 - pme.cpp:1104-1106 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 18878 - pme.cpp:1104-1106 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○mkl_dft_def_ippsDFTInv_CToC_32fc	libmkl_def.so.2	0.02	0.02	0.03	0.03	0.00	0.00	48	0.04	0.01	Math (%): 100.00
►gmx_pmeonly(gmx_pme_t*, t_commrec const, t_nrnb, gmx_wallcycle, gmx_walltime_accounting, t_inputrec, PmeRunMode, bool, bool, gmx::DeviceStreamManager const*)+	libgromacs_mpi.so.9.0.0	0.02	0.00	0.02	0.00	0.00	0.00	45	0.03	0.00	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 18997 - pme_only.cpp:151-867 - libgromacs_mpi.so.9.0.0 [...]+		0.02	0.00	0.04	0.00	0.00	0.00	0	0.00	0.00
►Loop 18998 - pme_only.cpp:151-867 - libgromacs_mpi.so.9.0.0 [...]+		0.02	0.00	0.04	0.00	0.00	0.00	2	0.00	0.00
○Loop 19013 - pme_only.cpp:468-509 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	7	0.00	0.00
►Loop 18999 - wallcycle.h:391-504 - libgromacs_mpi.so.9.0.0 [...]+		0.01	0.01	0.03	0.02	0.00	0.00	38	0.03	0.00
○Loop 19010 - pme_only.cpp:197-200 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 19001 - pme_only.cpp:151-798 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.01	0.01	0.00	0.00	7	0.01	0.00
○Loop 19007 - alloc_traits.h:276-276 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19009 - pme_only.cpp:331-345 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19006 - alloc_traits.h:276-276 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19008 - pme_only.cpp:352-354 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 19002 - pme_only.cpp:151-683 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19003 - pme_only.cpp:151-153 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19012 - pme_only.cpp:588-604 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	4	0.00	0.00
○Loop 19011 - pme_only.cpp:870-873 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 19014 - pme_only.cpp:349-434 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19015 - pme_only.cpp:408-422 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 19000 - stl_vector.h:386-1936 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19005 - alloc_traits.h:276-276 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19004 - alloc_traits.h:276-276 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19016 - new_allocator.h:187-187 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►calcBondedForces(InteractionDefinitions const&, bonded_threading_t, float const () [3], t_forcerec const, t_pbc const, float () [3], gmx_enerdata_t, t_nrnb*, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float con...+	libgromacs_mpi.so.9.0.0	0.02	0.00	0.01	0.01	0.00	0.00	55	0.02	0.00	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 18705 - listed_forces.cpp:204-451 - libgromacs_mpi.so.9.0.0 [...]+		0.01	0.00	0.02	0.00	0.00	0.00	10	0.00	0.00
○Loop 18707 - listed_forces.cpp:204-451 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 18706 - listed_forces.cpp:204-451 - libgromacs_mpi.so.9.0.0 [...]		0.01	0.01	0.01	0.01	0.00	0.00	49	0.02	0.00
►walk_out(int, int, int, int, int, gmx::ArrayRef<int const>, gmx::ArrayRef<int const>, gmx::ListOfLists<int> const&, gmx_ga2la_t const&, bool, gmx_domdec_constraints_t, gmx_domdec_specat_comm_t, InteractionList*, std::vector<i...+	libgromacs_mpi.so.9.0.0	0.02	0.01	0.02	0.02	0.00	0.00	50	0.03	0.00	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 5791 - hashedmap.h:187-189 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 5795 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	6	0.00	0.00
○Loop 5794 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	2	0.00	0.00
○Loop 5793 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.01	0.01	0.00	0.00	7	0.01	0.00
○Loop 5792 - hashedmap.h:167-167 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 5789 - domdec_constraints.cpp:176-185 - libgromacs_mpi.so.9.0.0 [...]+		0.01	0.00	0.02	0.01	0.00	0.00	18	0.02	0.00
○Loop 5790 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	7	0.00	0.00
○mpi_combiner_2_hcoll_combiner	libmpi.so.12.0.0	0.02	0.02	0.02	0.02	0.00	0.00	49	0.04	0.00	MPI (%): 100.00
○compute_1d_small_bwd	libmkl_def.so.2	0.01	0.01	0.02	0.02	0.00	0.00	48	0.03	0.00	Math (%): 100.00
►gmx::Constraints::Impl::apply(bool, bool, long, int, float, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >, float const (*)...+	libgromacs_mpi.so.9.0.0	0.01	0.01	0.01	0.01	0.00	0.00	58	0.02	0.00	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 16167 - constr.cpp:688-690 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 16168 - vec.h:292-292 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.01	0.01	0.00	0.00	19	0.02	0.00
○Loop 16165 - vec.h:538-546 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 16166 - constr.cpp:688-690 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 16164 - constr.cpp:729-735 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○GOMP_parallel	libgomp.so.1.0.0	0.01	0.01	0.02	0.02	0.00	0.00	57	0.02	0.00	OMP (%): 100.00
○compute_1d_small_bwd	libmkl_def.so.2	0.01	0.00	0.02	0.01	0.00	0.00	39	0.04	0.01	Math (%): 100.00
►dd_make_local_constraints(gmx_domdec_t, int, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::Constraints, int, gmx::ArrayRef<InteractionList>) [clone ._omp_fn.0]+	libgromacs_mpi.so.9.0.0	0.01	0.00	0.01	0.00	0.00	0.00	54	0.02	0.00	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 5807 - arrayref.h:78-260 - libgromacs_mpi.so.9.0.0 [...]+		0.01	0.00	0.03	0.00	0.00	0.00	0	0.00	0.00
►Loop 5808 - idef.h:232-235 - libgromacs_mpi.so.9.0.0 [...]+		0.01	0.00	0.03	0.00	0.00	0.00	22	0.00	0.00
►Loop 5810 - ga2la.h:112-126 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 5811 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	5	0.00	0.00
►Loop 5809 - ga2la.h:112-126 - libgromacs_mpi.so.9.0.0 [...]+		0.01	0.00	0.02	0.01	0.00	0.00	12	0.02	0.00
○Loop 5812 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...]		0.01	0.01	0.01	0.01	0.00	0.00	23	0.01	0.00
○Loop 5813 - mtop_lookup.h:93-106 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	2	0.00	0.00
○MPIDIG_dequeue_unexp	libmpi.so.12.0.0	0.01	0.01	0.01	0.01	0.00	0.00	58	0.02	0.00	MPI (%): 100.00
○mkl_dft_def_ippsFFTFwd_RToPerm_32f	libmkl_def.so.2	0.01	0.01	0.02	0.02	0.00	0.00	44	0.03	0.00	Math (%): 100.00
○MPIDIG_send_long_req_target_msg_cb	libmpi.so.12.0.0	0.01	0.01	0.01	0.01	0.00	0.00	56	0.02	0.00	MPI (%): 100.00
○unlink_chunk.constprop.0	libc.so.6	0.01	0.01	0.01	0.01	0.00	0.00	56	0.02	0.00	IO (%): 100.00
►gmx_pme_receive_f(gmx::PmePpCommGpu, t_commrec const, gmx::ForceWithVirial, float, float, float, float, bool, bool, float)+	libgromacs_mpi.so.9.0.0	0.01	0.00	0.02	0.01	0.00	0.00	53	0.02	0.00	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 19022 - pme_pp.cpp:604-604 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 19023 - pme_pp.cpp:604-604 - libgromacs_mpi.so.9.0.0 [...]		0.01	0.01	0.02	0.02	0.00	0.00	41	0.02	0.00
►wrap_periodic_pmegrid(gmx_pme_t const, float)+	libgromacs_mpi.so.9.0.0	0.01	0.00	0.02	0.00	0.00	0.00	41	0.03	0.00	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 18968 - pme_grid.cpp:423-476 - libgromacs_mpi.so.9.0.0 [...]+		0.01	0.00	0.02	0.00	0.00	0.00	0	0.00	0.00
►Loop 18967 - pme_grid.cpp:423-476 - libgromacs_mpi.so.9.0.0 [...]+		0.01	0.01	0.02	0.02	0.00	0.00	38	0.03	0.00
○Loop 18966 - pme_grid.cpp:440-442 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 18969 - pme_grid.cpp:440-442 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 18960 - pme_grid.cpp:453-471 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 18959 - pme_grid.cpp:453-471 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 18961 - pme_grid.cpp:469-471 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 18958 - pme_grid.cpp:469-471 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 18964 - pme_grid.cpp:436-465 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 18963 - pme_grid.cpp:436-465 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 18965 - pme_grid.cpp:453-455 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 18962 - pme_grid.cpp:453-455 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○MPIC_Isend	libmpi.so.12.0.0	0.01	0.01	0.01	0.01	0.00	0.00	42	0.02	0.00	MPI (%): 100.00
►make_dd_indices(gmx_domdec_t*, int)+	libgromacs_mpi.so.9.0.0	0.01	0.00	0.02	0.00	0.00	0.00	49	0.02	0.00	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 6097 - partition.cpp:515-540 - libgromacs_mpi.so.9.0.0 [...]+		0.01	0.00	0.03	0.00	0.00	0.00	1	0.00	0.00
►Loop 6098 - new_allocator.h:187-187 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6099 - hashedmap.h:187-189 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6100 - stl_vector.h:1126-1126 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	1	0.00	0.00
►Loop 6101 - new_allocator.h:187-187 - libgromacs_mpi.so.9.0.0 [...]+		0.01	0.01	0.02	0.02	0.00	0.00	46	0.02	0.00
○Loop 6102 - hashedmap.h:187-189 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6103 - stl_vector.h:1126-1126 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	4	0.00	0.00
○atan2f	libm.so.6	0.01	0.00	0.01	0.00	0.00	0.00	41	0.03	0.00	Math (%): 100.00
○do_lookup_x	ld-linux-x86-64.so.2	0.01	0.01	0.01	0.01	0.00	0.00	56	0.01	0.00	System (%): 100.00
►globalAtomIndexToMoltypeIndices(gmx::ArrayRef<MolblockIndices const>, int)+	libgromacs_mpi.so.9.0.0	0.01	0.01	0.01	0.01	0.00	0.00	49	0.02	0.00	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 6223 - reversetopology.cpp:141-148 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.01	0.01	0.00	0.00	24	0.00	0.00
○compute_1d_small_fwd	libmkl_def.so.2	0.01	0.00	0.02	0.00	0.00	0.00	39	0.03	0.00	Math (%): 100.00
○gomp_team_start	libgomp.so.1.0.0	0.01	0.01	0.01	0.01	0.00	0.00	51	0.02	0.00	OMP (%): 100.00
►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<float const>, t_fcdata, t_disresdata, t_oriresdata, in...+	libgromacs_mpi.so.9.0.0	0.01	0.00	0.02	0.00	0.00	0.00	26	0.05	0.01	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 18655 - bonded.cpp:1825-2327 - libgromacs_mpi.so.9.0.0 [...]		0.01	0.01	0.02	0.02	0.00	0.00	26	0.05	0.01
○__GI___libc_malloc	libc.so.6	0.01	0.01	0.02	0.02	0.00	0.00	49	0.02	0.00	Memory (%): 100.00
►gmx::dd_partition_system(_IO_FILE, gmx::MDLogger const&, long, t_commrec const, bool, t_state, gmx_mtop_t const&, t_inputrec const&, gmx::MDModulesNotifiers const&, gmx::ImdSession, pull_t, t_state, gmx::ForceBuffers, gmx::MDAtoms, ...+	libgromacs_mpi.so.9.0.0	0.01	0.00	0.01	0.00	0.00	0.00	47	0.02	0.00	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 6137 - stl_vector.h:100-1936 - libgromacs_mpi.so.9.0.0 [...]+		0.01	0.00	0.06	0.00	0.00	0.00	2	0.00	0.00
○Loop 6187 - partition.cpp:469-471 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 6139 - char_traits.h:368-445 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6142 - :0-0 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6185 - partition.cpp:449-451 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6143 - basic_string.h:213-250 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 6148 - partition.cpp:1273-1291 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6150 - :0-0 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6149 - partition.cpp:1282-1288 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 6140 - char_traits.h:368-445 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6141 - :0-0 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6145 - domdec_internal.h:359-359 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6186 - partition.cpp:469-471 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 6136 - state.h:371-377 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	3	0.00	0.00
○Loop 6138 - char_traits.h:368-445 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6179 - utility.h:58-58 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 6180 - arrayref.h:80-82 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6181 - utility.h:82-82 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6156 - partition.cpp:555-569 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6153 - partition.cpp:615-619 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 6154 - partition.cpp:577-608 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6155 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6152 - stl_iterator.h:1111-1111 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6157 - stl_vector.h:990-990 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 6144 - basic_string.h:193-2196 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6147 - partition.cpp:1183-1187 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6151 - stl_algobase.h:238-238 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6146 - :0-0 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6135 - char_traits.h:368-445 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 6182 - arrayref.h:80-82 - libgromacs_mpi.so.9.0.0 [...]+		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6183 - utility.h:82-82 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6177 - partition.cpp:449-451 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6184 - partition.cpp:449-451 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►Loop 6158 - stl_vector.h:990-1936 - libgromacs_mpi.so.9.0.0 [...]+		0.01	0.00	0.05	0.00	0.00	0.00	2	0.00	0.00
○Loop 6175 - partition.cpp:2522-2524 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	2	0.00	0.00
○Loop 6161 - partition.cpp:449-451 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6172 - stl_algobase.h:386-388 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	1	0.00	0.00
○Loop 6164 - stl_algobase.h:386-388 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6171 - partition.cpp:2522-2524 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6168 - stl_algobase.h:386-388 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6176 - partition.cpp:2557-2561 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6165 - stl_algobase.h:386-388 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	2	0.00	0.00
○Loop 6162 - hashedmap.h:290-293 - libgromacs_mpi.so.9.0.0		0.01	0.01	0.01	0.01	0.00	0.00	27	0.01	0.00
○Loop 6167 - stl_algobase.h:386-388 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6160 - partition.cpp:449-451 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6166 - partition.cpp:2522-2524 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	5	0.00	0.00
○Loop 6169 - partition.cpp:2522-2524 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.01	0.01	0.00	0.00	3	0.02	0.00
○Loop 6173 - partition.cpp:2522-2524 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.01	0.01	0.00	0.00	4	0.00	0.00
○Loop 6174 - stl_algobase.h:386-388 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6159 - partition.cpp:2217-2221 - libgromacs_mpi.so.9.0.0 [...]		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6163 - ga2la.h:156-158 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6170 - stl_algobase.h:386-388 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 6178 - partition.cpp:449-451 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
►unwrap_periodic_pmegrid(gmx_pme_t, float) [clone ._omp_fn.1]+	libgromacs_mpi.so.9.0.0	0.01	0.00	0.02	0.00	0.00	0.00	37	0.03	0.00	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 18930 - pme_grid.cpp:529-539 - libgromacs_mpi.so.9.0.0 [...]+		0.01	0.00	0.02	0.00	0.00	0.00	2	0.00	0.00
►Loop 18929 - pme_grid.cpp:529-539 - libgromacs_mpi.so.9.0.0 [...]+		0.01	0.01	0.02	0.02	0.00	0.00	35	0.03	0.00
○Loop 18928 - pme_grid.cpp:537-539 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○Loop 18931 - pme_grid.cpp:537-539 - libgromacs_mpi.so.9.0.0		0.00	0.00	0.00	0.00	0.00	0.00	0	0.00	0.00
○gmx_fft_1d(gmx_fft, gmx_fft_direction, void, void*)	libgromacs_mpi.so.9.0.0	0.01	0.01	0.02	0.02	0.00	0.00	38	0.03	0.00	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►gmx_fft_many_1d(gmx_fft, gmx_fft_direction, void, void*)+	libgromacs_mpi.so.9.0.0	0.01	0.00	0.01	0.01	0.00	0.00	34	0.03	0.00	/home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00	GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 19156 - fft.cpp:115-123 - libgromacs_mpi.so.9.0.0		0.01	0.01	0.01	0.01	0.00	0.00	26	0.02	0.00

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