OV - gmx_mpi - Functions and Loops

Name	Module	Coverage 1x1 (%)	Max Time Over Threads 1x1 (s)	Time w.r.t. Wall Time 1x1 (s)	Nb Threads 1x1	Categories 1x1	GFLOPS 1x1	Compilation Options
►nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)+	libgromacs_mpi.so.7	58.4	161.52	161.52	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	70.10	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 1829 - kernel_outer.h:353-639 - libgromacs_mpi.so.7 [...]+		1.15	3.19	3.19	1		72.72
○Loop 1830 - kernel_outer.h:590-590 - libgromacs_mpi.so.7 [...]		38.82	107.35	107.35	1		69.37
○Loop 1834 - kernel_outer.h:608-608 - libgromacs_mpi.so.7 [...]		13.82	38.23	38.23	1		72.54
○Loop 1831 - avxintrin.h:149-1328 - libgromacs_mpi.so.7 [...]		1.87	5.18	5.18	1		69.36
○Loop 1835 - avxintrin.h:149-1328 - libgromacs_mpi.so.7 [...]		1.58	4.38	4.38	1		72.65
○Loop 1833 - kernel_outer.h:624-624 - libgromacs_mpi.so.7 [...]		1.01	2.79	2.79	1		60.64
○Loop 1832 - kernel_outer.h:618-621 - libgromacs_mpi.so.7 [...]		0.15	0.41	0.41	1		58.45
►nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)+	libgromacs_mpi.so.7	9.49	26.25	26.25	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	75.46	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 1836 - kernel_outer.h:353-648 - libgromacs_mpi.so.7 [...]+		0.18	0.49	0.49	1		82.36
○Loop 1837 - kernel_outer.h:590-590 - libgromacs_mpi.so.7 [...]		6.12	16.93	16.93	1		75.58
○Loop 1841 - kernel_outer.h:608-608 - libgromacs_mpi.so.7 [...]		2.54	7.02	7.02	1		71.40
○Loop 1838 - avxintrin.h:149-1328 - libgromacs_mpi.so.7 [...]		0.26	0.72	0.72	1		97.79
○Loop 1842 - avxintrin.h:149-1328 - libgromacs_mpi.so.7 [...]		0.23	0.63	0.63	1		96.17
○Loop 1840 - kernel_outer.h:624-624 - libgromacs_mpi.so.7 [...]		0.14	0.37	0.37	1		68.32
○Loop 1839 - kernel_outer.h:618-621 - libgromacs_mpi.so.7 [...]		0.03	0.08	0.09	1		38.69
►spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone ._omp_fn.1]+	libgromacs_mpi.so.7	4.62	12.79	12.79	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	7.69	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 14912 - pme_spread.cpp:186-988 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 14915 - arrayref.h:78-78 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 14913 - pme_spread.cpp:186-988 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 14926 - pme_spread.cpp:277-292 - libgromacs_mpi.so.7 [...]+		1.28	3.53	3.53	1		7.35
○Loop 14927 - pme_spread.cpp:291-291 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 14928 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7+		0	0	0	0		0.00
○Loop 14929 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 14914 - pme_spread.cpp:186-988 - libgromacs_mpi.so.7 [...]+		0	0	0	1		0.00
►Loop 14921 - pme_spread.cpp:358-400 - libgromacs_mpi.so.7 [...]+		3.35	9.26	9.26	1		7.82
►Loop 14925 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7+		0	0	0	0		0.00
►Loop 14924 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7+		0	0	0	0		0.00
○Loop 14923 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 14922 - pme_simd4.h:138-141 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 14918 - pme_spread.cpp:439-447 - libgromacs_mpi.so.7+		0	0	0	0		0.00
►Loop 14919 - pme_spread.cpp:441-447 - libgromacs_mpi.so.7+		0	0	0	0		0.00
○Loop 14920 - pme_spread.cpp:445-447 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 14916 - pme_spread.cpp:188-199 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 14917 - pme_spread.cpp:197-199 - libgromacs_mpi.so.7		0	0	0	0		0.00
►gather_f_bsplines(gmx_pme_t const, float const, bool, PmeAtomComm const, splinedata_t const, float)+	libgromacs_mpi.so.7	3.72	10.29	10.29	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	29.44	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 14752 - pme_gather.cpp:81-348 - libgromacs_mpi.so.7 [...]+		3.72	10.29	10.29	1		29.44
►Loop 14756 - pme_gather.cpp:103-124 - libgromacs_mpi.so.7+		0	0	0	0		0.00
►Loop 14755 - pme_gather.cpp:109-124 - libgromacs_mpi.so.7+		0	0	0	0		0.00
○Loop 14754 - pme_gather.cpp:116-120 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 14753 - pme_gather.cpp:247-251 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)+	libgromacs_mpi.so.7	1.8	4.99	4.99	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	17.07	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 14872 - pme_solve.cpp:234-561 - libgromacs_mpi.so.7 [...]+		0.1	0.28	0.28	1		15.48
○Loop 14881 - pme_solve.cpp:534-543 - libgromacs_mpi.so.7		0.43	1.2	1.2	1		7.30
○Loop 14882 - pme_solve.cpp:522-531 - libgromacs_mpi.so.7		0.4	1.1	1.1	1		39.80
○Loop 14879 - pme_solve.cpp:555-561 - libgromacs_mpi.so.7		0.29	0.8	0.8	1		11.26
○Loop 14880 - pme_solve.cpp:234-234 - libgromacs_mpi.so.7 [...]		0.21	0.58	0.58	1		10.87
○Loop 14873 - pme_solve.cpp:499-511 - libgromacs_mpi.so.7		0.15	0.41	0.41	1		10.35
○Loop 14877 - pme_solve.cpp:457-470 - libgromacs_mpi.so.7		0.07	0.18	0.18	1		6.63
○Loop 14874 - pme_solve.cpp:486-496 - libgromacs_mpi.so.7		0.05	0.13	0.13	1		8.53
○Loop 14878 - pme_solve.cpp:441-454 - libgromacs_mpi.so.7		0.05	0.12	0.12	1		10.84
○Loop 14876 - pme_solve.cpp:473-475 - libgromacs_mpi.so.7		0.04	0.11	0.11	1		19.69
○Loop 14875 - pme_solve.cpp:234-234 - libgromacs_mpi.so.7 [...]		0.02	0.06	0.06	1		49.40
►nbnxn_kernel_prune_4xn(NbnxnPairlistCpu, nbnxn_atomdata_t const, gmx::ArrayRef<gmx::BasicVector<float> const>, float)+	libgromacs_mpi.so.7	1.76	4.88	4.88	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	35.00	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 2312 - kernel_prune.cpp:76-181 - libgromacs_mpi.so.7 [...]+		0.03	0.07	0.07	1		58.63
○Loop 2313 - kernel_prune.cpp:115-181 - libgromacs_mpi.so.7 [...]		1.74	4.81	4.81	1		34.65
►gmx::lincs_matrix_expand(gmx::Lincs const&, gmx::Task const&, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<float>) [clone .isra.0]+	libgromacs_mpi.so.7	1.58	4.37	4.37	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	2.17	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 13248 - lincs.cpp:320-340 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 13247 - lincs.cpp:322-340 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 13249 - lincs.cpp:332-336 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 13250 - lincs.cpp:320-322 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 13252 - lincs.cpp:270-287 - libgromacs_mpi.so.7+		0	0	0	0		0.00
►Loop 13251 - lincs.cpp:270-287 - libgromacs_mpi.so.7+		0	0	0	0		0.00
►Loop 13253 - lincs.cpp:276-287 - libgromacs_mpi.so.7+		1.58	4.37	4.37	1		2.17
○Loop 13254 - lincs.cpp:282-284 - libgromacs_mpi.so.7		0	0	0	0		0.00
►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.7	0.84	2.31	2.31	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	6.98	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
○Loop 13261 - lincs.cpp:798-809 - libgromacs_mpi.so.7 [...]		0.37	1.02	1.02	1		7.69
►Loop 13262 - lincs.cpp:1085-1089 - libgromacs_mpi.so.7 [...]+		0.26	0.73	0.73	1		3.25
○Loop 13264 - lincs.cpp:1087-1089 - libgromacs_mpi.so.7 [...]		0.05	0.12	0.12	1		3.19
○Loop 13255 - lincs.cpp:1215-1223 - libgromacs_mpi.so.7		0.02	0.04	0.04	1		9.09
○Loop 13257 - lincs.cpp:1193-1195 - libgromacs_mpi.so.7		0.01	0.01	0.01	1		1.00
○Loop 13263 - lincs.cpp:1098-1098 - libgromacs_mpi.so.7 [...]		0.01	0.03	0.03	1		2.33
►Loop 13259 - lincs.cpp:919-1173 - libgromacs_mpi.so.7 [...]+		0	0	0	1		0.00
○Loop 13260 - lincs.cpp:919-919 - libgromacs_mpi.so.7 [...]		0.1	0.28	0.28	1		17.51
○Loop 13258 - lincs.cpp:1155-1155 - libgromacs_mpi.so.7 [...]		0.02	0.05	0.05	1		3.35
○Loop 13256 - lincs.cpp:1202-1207 - libgromacs_mpi.so.7		0	0	0	0		0.00
►makeClusterListSimd4xn(Nbnxm::Grid const&, NbnxnPairlistCpu, int, int, int, bool, float const, float, float, int*)+	libgromacs_mpi.so.7	0.84	2.31	2.31	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	4.66	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
○Loop 3886 - pairlist_simd_4xm.h:136-195 - libgromacs_mpi.so.7 [...]		0.49	1.36	1.36	1		4.75
○Loop 3885 - pairlist_simd_4xm.h:204-262 - libgromacs_mpi.so.7 [...]		0.13	0.36	0.36	1		4.53
○Loop 3884 - pairlist_simd_4xm.h:268-273 - libgromacs_mpi.so.7 [...]		0.05	0.14	0.14	1		5.54
►void gmx::settleTemplate<gmx::SimdFloat, gmx::SimdFBool, 8, float const, true, false>(gmx::SettleData const&, int, int, float const, float const, float, float, float, float () [3], bool*) [clone .constprop.0]+	libgromacs_mpi.so.7	0.84	2.32	2.32	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	15.35	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
○Loop 13474 - settle.cpp:423-431 - libgromacs_mpi.so.7 [...]		0.84	2.32	2.32	1		15.35
►PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t, gmx::ListOfLists<int> const&, int, t_nrnb, SearchCycleCounting*) [clone ._omp_fn.0]+	libgromacs_mpi.so.7	0.81	2.23	2.23	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	4.57	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 3906 - pairlist.cpp:184-4014 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 3928 - stl_vector.h:988-1934 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 3930 - pairlist.cpp:613-3490 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 3931 - pairlist.cpp:613-3490 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 3932 - pairlist.cpp:613-3490 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 3933 - alloc_traits.h:261-261 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 3937 - alloc_traits.h:261-261 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 3934 - pairlist.cpp:2233-2242 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 3947 - pairlist.cpp:2957-3459 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 3948 - pairlist.cpp:2957-3459 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 3951 - pairlist.cpp:3393-3394 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 3949 - pairlist.cpp:2957-2959 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 3950 - pairlist.cpp:3408-3409 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 3936 - pairlist.cpp:1432-1834 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 3938 - stl_vector.h:988-1934 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 3940 - pairlist.cpp:1432-1816 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 3939 - grid.h:239-295 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 3941 - pairlist.cpp:1432-1816 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 3942 - pairlist.cpp:613-1938 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 3943 - pairlist.cpp:613-1938 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 3945 - pairlist.cpp:613-1332 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 3944 - pairlist.cpp:1316-1322 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 3935 - pairlist.cpp:2348-2358 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 3946 - pairlist.cpp:613-1255 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 3953 - pairlist.cpp:2891-2893 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 3952 - pairlist.cpp:2891-2893 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 3929 - pairlist.cpp:258-3356 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 3903 - grid.h:233-299 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 3905 - pairlist.cpp:3113-3121 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 3904 - pairlist.cpp:258-3133 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 3907 - pairlist.cpp:184-3514 - libgromacs_mpi.so.7 [...]+		0	0	0	1		0.00
►Loop 3908 - pairlist.cpp:184-3490 - libgromacs_mpi.so.7 [...]+		0.01	0.03	0.03	1		6.04
►Loop 3909 - pairlist.cpp:184-3490 - libgromacs_mpi.so.7 [...]+		0.01	0.02	0.02	1		4.81
►Loop 3910 - new_allocator.h:175-175 - libgromacs_mpi.so.7 [...]+		0.05	0.13	0.13	1		5.23
○Loop 3911 - pairlist.cpp:1981-1985 - libgromacs_mpi.so.7		0.02	0.04	0.04	1		9.28
►Loop 3923 - pairlist.cpp:2922-3472 - libgromacs_mpi.so.7 [...]+		0.02	0.04	0.04	1		3.72
►Loop 3924 - pairlist.cpp:2922-3472 - libgromacs_mpi.so.7 [...]+		0.32	0.89	0.89	1		3.62
○Loop 3926 - pairlist.cpp:3408-3409 - libgromacs_mpi.so.7		0.26	0.71	0.71	1		4.57
○Loop 3925 - stl_algobase.h:922-922 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 3927 - pairlist.cpp:3393-3394 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 3913 - pairlist.cpp:1998-2000 - libgromacs_mpi.so.7		0.01	0.02	0.02	1		4.19
►Loop 3914 - pairlist.cpp:607-3490 - libgromacs_mpi.so.7 [...]+		0.01	0.02	0.02	1		3.50
►Loop 3915 - pairlist.cpp:607-1420 - libgromacs_mpi.so.7 [...]+		0.02	0.05	0.05	1		7.05
►Loop 3916 - pairlist.cpp:607-1420 - libgromacs_mpi.so.7 [...]+		0.06	0.15	0.15	1		6.78
○Loop 3918 - pairlist.cpp:607-1332 - libgromacs_mpi.so.7 [...]		0.01	0.04	0.04	1		6.25
○Loop 3917 - pairlist.cpp:1316-1322 - libgromacs_mpi.so.7		0.01	0.02	0.02	1		10.06
○Loop 3912 - pairlist.cpp:1991-1995 - libgromacs_mpi.so.7		0.01	0.02	0.02	1		10.88
○Loop 3922 - pairlist.cpp:607-1255 - libgromacs_mpi.so.7 [...]		0	0	0	1		0.00
►Loop 3919 - stl_vector.h:988-1934 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 3920 - pairlist.cpp:1432-1644 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 3921 - pairlist.cpp:1432-1644 - libgromacs_mpi.so.7 [...]		0	0	0	0		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>, gmx::ArrayRef<float>, gmx::ArrayRef<bool>, gmx::ArrayRef<unsigned short>, ...+	libgromacs_mpi.so.7	0.7	1.94	1.94	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	5.76	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
○Loop 14659 - pairs.cpp:863-893 - libgromacs_mpi.so.7 [...]		0.65	1.8	1.8	1		6.00
○Loop 14657 - pairs.cpp:606-824 - libgromacs_mpi.so.7 [...]		0.05	0.14	0.14	1		2.67
○Loop 14661 - pairs.cpp:550-564 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 14658 - pairs.cpp:606-818 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 14660 - pairs.cpp:863-925 - libgromacs_mpi.so.7 [...]		0	0	0	0		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.7	0.67	1.86	1.86	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	15.25	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 14537 - bonded.cpp:2022-2124 - libgromacs_mpi.so.7 [...]+		0.47	1.3	1.3	1		17.20
○Loop 14538 - bonded.cpp:2072-2095 - libgromacs_mpi.so.7 [...]		0.2	0.56	0.56	1		10.72
►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.7	0.66	1.82	1.82	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	15.29	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
○Loop 14529 - bonded.cpp:1151-1177 - libgromacs_mpi.so.7 [...]		0.66	1.82	1.82	1		15.29
○fftwf_codelet_n1fv_15_avx	libfftw3f.so.3.5.5	0.64	1.76	1.76	1	Math (%): 100.00	6.90
○fftwf_codelet_hc2cfdftv_6_sse2	libfftw3f.so.3.5.5	0.64	1.78	1.78	1	Math (%): 100.00	7.70
○fftwf_codelet_hc2cbdftv_2_sse2	libfftw3f.so.3.5.5	0.63	1.75	1.75	1	Math (%): 100.00	7.59
►spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone ._omp_fn.0]+	libgromacs_mpi.so.7	0.6	1.66	1.67	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	4.77	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 14941 - pme_spread.cpp:71-918 - libgromacs_mpi.so.7 [...]+		0	0	0	1		0.00
○Loop 14940 - pme_spread.cpp:104-145 - libgromacs_mpi.so.7 [...]		0.6	1.66	1.66	1		4.80
○Loop 14944 - pme_spread.cpp:96-98 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 14942 - pme_spread.cpp:172-174 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 14943 - pme_spread.cpp:154-156 - libgromacs_mpi.so.7		0	0	0	0		0.00
○(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.7	0.6	1.66	1.66	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	22.87	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
○fftwf_cpy2d	libfftw3f.so.3.5.5	0.52	1.43	1.43	1	Math (%): 100.00	0.88
○fftwf_codelet_n1bv_16_sse2	libfftw3f.so.3.5.5	0.47	1.29	1.29	1	Math (%): 100.00	9.04
►copy_pmegrid_to_fftgrid(gmx_pme_t const, float const, float*, int)+	libgromacs_mpi.so.7	0.47	1.3	1.3	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 14783 - pme_grid.cpp:299-309 - libgromacs_mpi.so.7+		0	0	0	0		0.00
►Loop 14784 - pme_grid.cpp:301-309 - libgromacs_mpi.so.7+		0.01	0.02	0.02	1		0.00
○Loop 14785 - pme_grid.cpp:303-309 - libgromacs_mpi.so.7 [...]		0.46	1.28	1.28	1		0.00
○fftwf_codelet_n1fv_11_avx	libfftw3f.so.3.5.5	0.47	1.29	1.29	1	Math (%): 100.00	12.87
○fftwf_codelet_t2bv_4_avx	libfftw3f.so.3.5.5	0.46	1.27	1.27	1	Math (%): 100.00	13.28
►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.7	0.45	1.24	1.24	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	9.74	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
○Loop 13246 - lincs.cpp:368-383 - libgromacs_mpi.so.7 [...]		0.45	1.23	1.23	1		9.82
○Loop 13245 - lincs.cpp:388-401 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○fftwf_codelet_t2fv_4_avx	libfftw3f.so.3.5.5	0.45	1.24	1.24	1	Math (%): 100.00	13.11
►pbc_dx_aiuc(t_pbc const, float const, float const, float)+	libgromacs_mpi.so.7	0.43	1.18	1.18	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	2.74	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
○Loop 5341 - pbc.cpp:989-1006 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 5342 - pbc.cpp:899-909 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○fftwf_codelet_n1bv_11_avx	libfftw3f.so.3.5.5	0.42	1.17	1.17	1	Math (%): 100.00	13.68
►gmx::Update::Impl::update_coords(t_inputrec const&, long, int, bool, gmx::ArrayRef<ParticleType const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const [3]>, t_state*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> co...+	libgromacs_mpi.so.7	0.35	0.97	0.97	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	9.32	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 13575 - update.cpp:358-1813 - libgromacs_mpi.so.7 [...]+		0	0	0	1		0.00
○Loop 13588 - avxintrin.h:204-887 - libgromacs_mpi.so.7 [...]		0.31	0.85	0.85	1		8.98
○Loop 13589 - update.cpp:361-387 - libgromacs_mpi.so.7 [...]		0.04	0.12	0.12	1		11.73
○Loop 13587 - update.cpp:361-387 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 13583 - update.cpp:1296-1332 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 13581 - threefry.h:679-685 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 13582 - update.cpp:1313-1332 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 13580 - update.cpp:1313-1332 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 13579 - update.cpp:1313-1332 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 13578 - update.cpp:1313-1332 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 13586 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 13584 - update.cpp:949-961 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 13585 - update.cpp:893-910 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 13592 - update.cpp:361-387 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 13590 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 13593 - update.cpp:361-387 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 13577 - update.cpp:1137-1190 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 13591 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 13576 - update.cpp:1137-1190 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○fftwf_codelet_n2fv_10_avx	libfftw3f.so.3.5.5	0.35	0.95	0.95	1	Math (%): 100.00	14.74
○__memset_avx2_unaligned_erms	libc-2.28.so	0.35	0.98	0.98	1	Memory (%): 100.00	0.01
►copy_fftgrid_to_pmegrid(gmx_pme_t, float const, float*, int, int, int)+	libgromacs_mpi.so.7	0.34	0.94	0.94	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 14786 - pme_grid.cpp:395-404 - libgromacs_mpi.so.7+		0.01	0.03	0.03	1		0.00
○Loop 14787 - pme_grid.cpp:402-404 - libgromacs_mpi.so.7		0.33	0.91	0.91	1		0.00
►copy_rvec_to_nbat_real(int const, int, int, float const () [3], int, float*, int)+	libgromacs_mpi.so.7	0.26	0.72	0.72	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
○Loop 2963 - atomdata.cpp:226-236 - libgromacs_mpi.so.7		0.25	0.7	0.7	1		0.00
○Loop 2958 - atomdata.cpp:180-184 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2959 - atomdata.cpp:172-176 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2962 - atomdata.cpp:240-250 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2961 - atomdata.cpp:193-203 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2960 - atomdata.cpp:207-217 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2964 - atomdata.cpp:161-165 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2965 - atomdata.cpp:154-158 - libgromacs_mpi.so.7		0	0	0	0		0.00
○fftwf_codelet_n2bv_10_avx	libfftw3f.so.3.5.5	0.23	0.63	0.63	1	Math (%): 100.00	21.28
○evaluate_single(float, float, float const, float, float, float, float, float, float*)	libgromacs_mpi.so.7	0.19	0.52	0.52	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	2.42	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►reduceForces(nbnxn_atomdata_t, gmx::AtomLocality, Nbnxm::GridSet const&, float () [3]) [clone ._omp_fn.0]+	libgromacs_mpi.so.7	0.17	0.48	0.48	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	1.76	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 2969 - atomdata.cpp:1149-1268 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 2971 - atomdata.cpp:1173-1179 - libgromacs_mpi.so.7 [...]		0.17	0.48	0.48	1		1.76
○Loop 2970 - atomdata.cpp:1163-1169 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 2972 - atomdata.cpp:1153-1159 - libgromacs_mpi.so.7		0	0	0	0		0.00
○__erfcf	libm-2.28.so	0.16	0.44	0.44	1	Math (%): 100.00	2.64
►gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()+	libgromacs_mpi.so.7	0.16	0.44	0.44	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
○Loop 5132 - threaded_force_buffer.cpp:78-81 - libgromacs_mpi.so.7 [...]		0.16	0.44	0.44	1		0.00
○Loop 5131 - stl_algobase.h:909-910 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 5130 - threaded_force_buffer.cpp:90-94 - libgromacs_mpi.so.7		0	0	0	0		0.00
○fftwf_mkplan_hc2c	libfftw3f.so.3.5.5	0.15	0.42	0.42	1	Math (%): 100.00	7.68
○__atanf	libm-2.28.so	0.15	0.4	0.4	1	Math (%): 100.00	2.67
○dih_angle(float const, float const, float const, float const, t_pbc const, float, float, float, float, float, int, int, int*)	libgromacs_mpi.so.7	0.13	0.35	0.35	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	2.60	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
○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.7	0.12	0.34	0.34	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	3.36	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►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.7	0.11	0.31	0.31	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	3.13	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
○Loop 14543 - bonded.cpp:444-1089 - libgromacs_mpi.so.7 [...]		0.11	0.31	0.31	1		3.13
○bond_angle(float const, float const, float const, t_pbc const, float, float, float, int, int*)	libgromacs_mpi.so.7	0.11	0.29	0.29	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	2.73	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►calc_ke_part_normal(gmx::ArrayRef<gmx::BasicVector<float> const>, t_grpopts const, t_mdatoms const, gmx_ekindata_t, t_nrnb, bool) [clone ._omp_fn.0]+	libgromacs_mpi.so.7	0.11	0.3	0.3	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	8.75	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 13330 - md_support.cpp:126-157 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 13331 - md_support.cpp:139-157 - libgromacs_mpi.so.7 [...]		0.11	0.3	0.3	1		8.75
○Loop 13332 - md_support.cpp:132-132 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○__acosf_finite	libm-2.28.so	0.1	0.26	0.26	1	Math (%): 100.00	3.17
○__memcpy_avx_unaligned_erms	libc-2.28.so	0.09	0.25	0.25	1	Memory (%): 100.00	18.19
○reduced_sincos	libm-2.28.so	0.09	0.24	0.24	1	Math (%): 100.00	2.25
►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.7	0.08	0.22	0.22	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
○Loop 13559 - update.cpp:1641-1641 - libgromacs_mpi.so.7		0.08	0.22	0.22	1		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.7	0.08	0.21	0.21	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	3.51	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 5112 - threaded_force_buffer.cpp:178-211 - libgromacs_mpi.so.7 [...]+		0.01	0.02	0.02	1		3.44
○Loop 5113 - threaded_force_buffer.cpp:200-200 - libgromacs_mpi.so.7 [...]		0.07	0.19	0.19	1		3.52
○Loop 5111 - threaded_force_buffer.cpp:182-186 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 5115 - threaded_force_buffer.cpp:207-211 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 5114 - threaded_force_buffer.cpp:209-211 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 5116 - threaded_force_buffer.cpp:178-182 - libgromacs_mpi.so.7		0	0	0	0		0.00
►void gmx::settleTemplate<gmx::SimdFloat, gmx::SimdFBool, 8, float const, true, true>(gmx::SettleData const&, int, int, float const, float const, float, float, float, float () [3], bool*)+	libgromacs_mpi.so.7	0.08	0.23	0.23	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	20.39	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
○Loop 13475 - settle.cpp:423-674 - libgromacs_mpi.so.7 [...]		0.08	0.23	0.23	1		20.39
○fftwf_codelet_r2cf_7	libfftw3f.so.3.5.5	0.08	0.23	0.23	1	Math (%): 100.00	6.27
○__ieee754_exp_fma	libm-2.28.so	0.08	0.21	0.21	1	Math (%): 100.00	3.00
○approx_2dof(float, float, float, float)	libgromacs_mpi.so.7	0.08	0.22	0.22	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	2.38	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
○fftwf_rdft2_buffered_register	libfftw3f.so.3.5.5	0.07	0.19	0.19	1	Math (%): 100.00	7.52
○__expf_fma	libm-2.28.so	0.07	0.21	0.21	1	Math (%): 100.00	1.92
►setupForceOutputs(ForceHelperBuffers, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::DomainLifetimeWorkload const&, gmx::StepWorkload const&, bool, gmx_wallcycle) [clone .constprop.0]+	libgromacs_mpi.so.7	0.07	0.2	0.2	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
○Loop 13508 - sim_util.cpp:466-466 - libgromacs_mpi.so.7 [...]		0.06	0.16	0.16	1		0.00
○Loop 13506 - sim_util.cpp:466-466 - libgromacs_mpi.so.7 [...]		0.02	0.04	0.04	1		0.00
○Loop 13507 - sim_util.cpp:466-466 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►int assignInteractionsForAtom<true>(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>, Int...+	libgromacs_mpi.so.7	0.06	0.17	0.17	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 4514 - localtopology.cpp:416-576 - libgromacs_mpi.so.7 [...]+		0.05	0.13	0.13	1		0.00
►Loop 4516 - ga2la.h:112-114 - libgromacs_mpi.so.7 [...]+		0.01	0.03	0.03	1		0.00
○Loop 4515 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4517 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►calc_x_times_f(int, float const () [3], float const () [3], bool, float const () [3], float () [3])+	libgromacs_mpi.so.7	0.06	0.18	0.17	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	6.06	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
○Loop 12894 - calcvir.cpp:61-81 - libgromacs_mpi.so.7 [...]		0.06	0.18	0.17	1		6.06
○energyDriftAtomPair(bool, bool, float, float, float, float, pot_derivatives_t const*)	libgromacs_mpi.so.7	0.06	0.17	0.17	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	2.43	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
○fftwf_khc2c_register	libfftw3f.so.3.5.5	0.05	0.12	0.12	1	Math (%): 100.00	4.61
○fftwf_ct_genericbuf_register	libfftw3f.so.3.5.5	0.05	0.13	0.13	1	Math (%): 100.00	12.02
○fftwf_mkplan_dftw	libfftw3f.so.3.5.5	0.05	0.13	0.13	1	Math (%): 100.00	13.77
►wrap_periodic_pmegrid(gmx_pme_t const, float)+	libgromacs_mpi.so.7	0.05	0.13	0.13	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	1.58	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 14793 - pme_grid.cpp:449-455 - libgromacs_mpi.so.7+		0	0	0	0		0.00
○Loop 14796 - pme_grid.cpp:451-453 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 14795 - pme_grid.cpp:451-455 - libgromacs_mpi.so.7+		0	0	0	0		0.00
○Loop 14794 - pme_grid.cpp:453-455 - libgromacs_mpi.so.7		0.01	0.01	0.01	1		8.25
►Loop 14788 - pme_grid.cpp:465-471 - libgromacs_mpi.so.7+		0	0	0	0		0.00
○Loop 14791 - pme_grid.cpp:467-469 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 14790 - pme_grid.cpp:467-471 - libgromacs_mpi.so.7+		0	0	0	1		0.00
○Loop 14789 - pme_grid.cpp:469-471 - libgromacs_mpi.so.7		0.01	0.02	0.02	1		2.69
►Loop 14792 - pme_grid.cpp:436-442 - libgromacs_mpi.so.7+		0	0	0	1		0.00
►Loop 14798 - pme_grid.cpp:438-442 - libgromacs_mpi.so.7+		0.03	0.09	0.09	1		0.69
○Loop 14797 - pme_grid.cpp:440-442 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 14799 - pme_grid.cpp:438-440 - libgromacs_mpi.so.7		0	0	0	0		0.00
○fftwf_codelet_r2cb_3	libfftw3f.so.3.5.5	0.05	0.13	0.13	1	Math (%): 100.00	10.77
○float (anonymous namespace)::dopdihs<(BondedKernelFlavor)2>(float, float, float, float, int, float, float, float, float)	libgromacs_mpi.so.7	0.05	0.12	0.12	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	2.80	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►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.7	0.05	0.14	0.14	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	13.87	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 14539 - bonded.cpp:2138-2254 - libgromacs_mpi.so.7 [...]+		0.03	0.08	0.08	1		11.42
○Loop 14540 - bonded.cpp:2185-2213 - libgromacs_mpi.so.7 [...]		0.02	0.06	0.06	1		17.13
○fftwf_dft_solve	libfftw3f.so.3.5.5	0.04	0.11	0.11	1	Math (%): 100.00	7.91
○fftwf_codelet_r2cfII_7	libfftw3f.so.3.5.5	0.04	0.11	0.11	1	Math (%): 100.00	12.53
○fftwf_codelet_r2cbIII_3	libfftw3f.so.3.5.5	0.04	0.12	0.12	1	Math (%): 100.00	4.84
○__sincosf_fma	libm-2.28.so	0.04	0.12	0.12	1	Math (%): 100.00	2.45
○__atan2f_finite	libm-2.28.so	0.04	0.11	0.11	1	Math (%): 100.00	2.08
○__atan2f	libm-2.28.so	0.03	0.07	0.07	1	Math (%): 100.00	2.04
○fftwf_dft_conf_standard	libfftw3f.so.3.5.5	0.03	0.08	0.09	1	Math (%): 100.00	10.65
►atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*) [clone ._omp_fn.0]+	libgromacs_mpi.so.7	0.03	0.09	0.09	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.06	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 13340 - mdatoms.cpp:336-497 - libgromacs_mpi.so.7 [...]+		0.03	0.09	0.09	1		0.06
○Loop 13341 - mtop_lookup.h:91-106 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►calcVerletBufferSize(gmx_mtop_t const&, float, t_inputrec const&, int, int, float, VerletbufListSetup const&)+	libgromacs_mpi.so.7	0.03	0.07	0.07	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	1.84	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
○Loop 12875 - calc_verletbuf.cpp:949-1053 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 12874 - stl_algobase.h:235-235 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 12871 - calc_verletbuf.cpp:530-1126 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 12872 - calc_verletbuf.cpp:530-721 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 12873 - calc_verletbuf.cpp:530-721 - libgromacs_mpi.so.7 [...]		0.03	0.07	0.07	1		1.84
○Loop 12870 - calc_verletbuf.cpp:877-879 - libgromacs_mpi.so.7		0	0	0	0		0.00
►void make_exclusions_zone<true>(gmx::ArrayRef<int const>, gmx_ga2la_t const&, gmx_domdec_zones_t const&, gmx::ArrayRef<MolblockIndices const>, std::vector<gmx_moltype_t, std::allocator<gmx_moltype_t> > const&, gmx:...+	libgromacs_mpi.so.7	0.03	0.07	0.07	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 4528 - localtopology.cpp:737-787 - libgromacs_mpi.so.7 [...]+		0.01	0.01	0.01	1		0.00
►Loop 4533 - hashedmap.h:274-282 - libgromacs_mpi.so.7 [...]+		0.02	0.05	0.05	1		0.00
○Loop 4534 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 4529 - ga2la.h:112-114 - libgromacs_mpi.so.7 [...]+		0	0	0	1		0.00
►Loop 4531 - hashedmap.h:274-282 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4532 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4530 - localtopology.cpp:744-746 - libgromacs_mpi.so.7		0	0	0	0		0.00
○__GI___printf_fp_l	libc-2.28.so	0.03	0.07	0.07	1	IO (%): 100.00	0.00
►globalAtomIndexToMoltypeIndices(gmx::ArrayRef<MolblockIndices const>, int)+	libgromacs_mpi.so.7	0.02	0.05	0.05	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
○Loop 4716 - reversetopology.cpp:140-145 - libgromacs_mpi.so.7 [...]		0.01	0.01	0.01	1		0.00
►sum_forces(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> const>) [clone ._omp_fn.0]+	libgromacs_mpi.so.7	0.02	0.05	0.05	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	2.83	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
○Loop 13502 - vec.h:141-147 - libgromacs_mpi.so.7		0.02	0.05	0.05	1		2.83
►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.7	0.02	0.06	0.06	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 4369 - arrayref.h:78-260 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 4370 - idef.h:232-235 - libgromacs_mpi.so.7 [...]+		0.01	0.02	0.02	1		0.00
►Loop 4371 - ga2la.h:112-126 - libgromacs_mpi.so.7 [...]+		0.01	0.03	0.03	1		0.00
○Loop 4374 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4375 - mtop_lookup.h:93-106 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 4372 - ga2la.h:112-126 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4373 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►unwrap_periodic_pmegrid(gmx_pme_t, float) [clone ._omp_fn.1]+	libgromacs_mpi.so.7	0.02	0.06	0.06	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 14765 - pme_grid.cpp:535-539 - libgromacs_mpi.so.7+		0	0	0	0		0.00
►Loop 14767 - pme_grid.cpp:535-539 - libgromacs_mpi.so.7+		0.02	0.06	0.06	1		0.00
○Loop 14766 - pme_grid.cpp:537-539 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 14768 - pme_grid.cpp:535-537 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Nbnxm::Grid::calcColumnIndices(Nbnxm::Grid::Dimensions const&, gmx::UpdateGroupsCog const, gmx::Range<int>, gmx::ArrayRef<gmx::BasicVector<float> const>, int, int const, int, int, gmx::ArrayRef<int>, gmx::ArrayRef<int>)+	libgromacs_mpi.so.7	0.02	0.04	0.04	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.44	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
○Loop 3089 - grid.cpp:1241-1311 - libgromacs_mpi.so.7 [...]		0.02	0.04	0.04	1		0.44
○Loop 3088 - grid.cpp:1241-1344 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>) [clone .constprop.0] [clone .isra.0]+	libgromacs_mpi.so.7	0.02	0.06	0.06	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.13	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 3069 - grid.cpp:329-408 - libgromacs_mpi.so.7 [...]+		0.01	0.02	0.02	1		0.00
○Loop 3070 - grid.cpp:385-389 - libgromacs_mpi.so.7 [...]		0	0	0	1		0.00
○Loop 3071 - grid.cpp:397-400 - libgromacs_mpi.so.7 [...]		0	0	0	1		0.00
○Loop 3068 - grid.cpp:415-420 - libgromacs_mpi.so.7		0.01	0.04	0.04	1		0.16
○Loop 3067 - grid.cpp:426-431 - libgromacs_mpi.so.7		0	0	0	0		0.00
○void do_dih_fup<(BondedKernelFlavor)0>(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.7	0.02	0.05	0.05	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	2.95	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►atoms_to_constraints(gmx_domdec_t, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::ListOfLists<int> const>, int, InteractionList, std::vector<int, std::allocator<int> >*) [clone .isra.0]+	libgromacs_mpi.so.7	0.02	0.04	0.04	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 4358 - domdec_constraints.cpp:314-388 - libgromacs_mpi.so.7 [...]+		0.01	0.02	0.02	1		0.00
►Loop 4359 - domdec_constraints.cpp:338-388 - libgromacs_mpi.so.7 [...]+		0.01	0.02	0.02	1		0.00
○Loop 4360 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4361 - mtop_lookup.h:93-106 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►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.7	0.02	0.06	0.06	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	3.21	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 14555 - bonded.cpp:1981-2010 - libgromacs_mpi.so.7 [...]+		0.02	0.05	0.05	1		2.40
○Loop 14556 - bonded.cpp:1996-2008 - libgromacs_mpi.so.7 [...]		0	0.01	0.01	1		7.25
►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.7	0.02	0.06	0.06	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 3079 - grid.cpp:816-866 - libgromacs_mpi.so.7 [...]+		0.01	0.03	0.03	1		0.00
○Loop 3080 - grid.cpp:823-834 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 3078 - grid.cpp:921-923 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 3072 - grid.cpp:504-504 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 3076 - grid.cpp:598-598 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 3075 - grid.cpp:633-633 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 3074 - grid.cpp:476-476 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 3077 - grid.cpp:911-915 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 3073 - grid.cpp:531-531 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○__acosf	libm-2.28.so	0.01	0.01	0.01	1	Math (%): 100.00	2.75
►make_dd_indices(gmx_domdec_t*, int)+	libgromacs_mpi.so.7	0.01	0.01	0.01	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 4607 - partition.cpp:511-536 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 4608 - new_allocator.h:175-175 - libgromacs_mpi.so.7 [...]+		0.01	0.01	0.01	1		0.00
○Loop 4610 - stl_vector.h:1124-1124 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4609 - hashedmap.h:187-189 - libgromacs_mpi.so.7		0	0	0	0		0.00
○_IO_vfprintf	libc-2.28.so	0.01	0.03	0.03	1	IO (%): 100.00	0.00
►getVerletBufferAtomtypes(gmx_mtop_t const&, bool, bool)+	libgromacs_mpi.so.7	0.01	0.03	0.03	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
○Loop 12857 - stl_vector.h:988-1124 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 12856 - stl_construct.h:119-119 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 12869 - stl_construct.h:119-119 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 12855 - calc_verletbuf.cpp:162-438 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 12854 - calc_verletbuf.cpp:162-438 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 12853 - calc_verletbuf.cpp:162-438 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 12852 - calc_verletbuf.cpp:162-438 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 12851 - calc_verletbuf.cpp:162-438 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 12850 - calc_verletbuf.cpp:162-438 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 12849 - calc_verletbuf.cpp:162-438 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 12848 - calc_verletbuf.cpp:162-438 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 12847 - calc_verletbuf.cpp:162-438 - libgromacs_mpi.so.7 [...]+		0.01	0.02	0.02	1		0.00
►Loop 12845 - new_allocator.h:175-175 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 12846 - calc_verletbuf.cpp:162-438 - libgromacs_mpi.so.7 [...]		0	0.01	0.01	1		0.00
○Loop 12866 - stl_iterator.h:1072-1073 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 12860 - stl_iterator.h:1072-1073 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 12859 - calc_verletbuf.cpp:194-315 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 12864 - calc_verletbuf.cpp:194-233 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 12865 - calc_verletbuf.cpp:196-233 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 12863 - stl_algobase.h:235-235 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 12861 - calc_verletbuf.cpp:287-304 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 12844 - calc_verletbuf.cpp:194-387 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 12868 - calc_verletbuf.cpp:194-387 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 12867 - calc_verletbuf.cpp:194-412 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 12858 - calc_verletbuf.cpp:213-215 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 12862 - calc_verletbuf.cpp:242-273 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○fftwf_transpose	libfftw3f.so.3.5.5	0.01	0.01	0.01	1	Math (%): 100.00	0.13
►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.7	0.01	0.01	0.01	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	5.13	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
○Loop 14560 - bonded.cpp:2290-2327 - libgromacs_mpi.so.7 [...]		0.01	0.01	0.01	1		5.13
○constrained_atom_sigma2(float, atom_nonbonded_kinetic_prop_t const, float, float*)	libgromacs_mpi.so.7	0.01	0.01	0.01	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	2.25	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►do_stopcm_grp(t_mdatoms const&, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >, t_vcm const&) [clone ._omp_fn.0]+	libgromacs_mpi.so.7	0.01	0.01	0.01	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.50	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
○Loop 13666 - vcm.cpp:290-292 - libgromacs_mpi.so.7		0.01	0.01	0.01	1		0.50
○Loop 13671 - vcm.cpp:269-280 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 13664 - vcm.cpp:302-304 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 13674 - vcm.cpp:336-339 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 13665 - vcm.cpp:274-280 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 13670 - vcm.cpp:302-304 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 13672 - vcm.cpp:336-339 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 13667 - vcm.cpp:302-304 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 13663 - vcm.cpp:290-292 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 13662 - vec.h:168-421 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 13668 - vcm.cpp:274-280 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 13675 - vcm.cpp:349-352 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 13677 - vcm.cpp:349-352 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 13676 - vcm.cpp:336-339 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 13669 - vcm.cpp:290-292 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 13673 - vcm.cpp:349-352 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►void get_cell_range<1>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int, int)+	libgromacs_mpi.so.7	0.01	0.03	0.03	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	9.46	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
○Loop 3867 - pairlist.cpp:281-285 - libgromacs_mpi.so.7		0	0	0	1		0.00
○Loop 3868 - pairlist.cpp:273-276 - libgromacs_mpi.so.7		0	0	0	1		0.00
○Unknown function	[vdso]	0.01	0.02	0.02	1	Math (%): 100.00	0.94
○do_lookup_x	ld-2.28.so	0.01	0.03	0.03	1	System (%): 100.00	0.00
○Unknown function	libgromacs_mpi.so.7	0.01	0.04	0.04	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	4.22
○nral_rt(int)	libgromacs_mpi.so.7	0.01	0.01	0.01	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►gmx::ListOfLists<int>::pushBack(gmx::ArrayRef<int const>)+	libgromacs_mpi.so.7	0.01	0.02	0.02	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
○Loop 4535 - stl_algobase.h:383-385 - libgromacs_mpi.so.7		0	0	0	1		0.00
►void get_cell_range<0>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int, int)+	libgromacs_mpi.so.7	0.01	0.02	0.02	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	11.00	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
○Loop 3870 - pairlist.cpp:273-276 - libgromacs_mpi.so.7		0	0	0	1		0.00
○Loop 3869 - pairlist.cpp:281-285 - libgromacs_mpi.so.7		0	0.01	0.01	1		8.88
►dd_bonded_cg_distance(gmx::MDLogger const&, gmx_mtop_t const&, t_inputrec const&, gmx::ArrayRef<gmx::BasicVector<float> const>, float const () [3], gmx::DDBondedChecking, float, float*)+	libgromacs_mpi.so.7	0.01	0.01	0.01	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	1.63	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 4192 - computemultibodycutoffs.cpp:76-347 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 4193 - computemultibodycutoffs.cpp:76-347 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 4194 - computemultibodycutoffs.cpp:76-347 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4195 - computemultibodycutoffs.cpp:76-184 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 4196 - stl_vector.h:100-1904 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 4198 - vec.h:204-284 - libgromacs_mpi.so.7 [...]+		0	0	0	1		0.00
○Loop 4205 - vec.h:204-206 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 4201 - computemultibodycutoffs.cpp:76-115 - libgromacs_mpi.so.7 [...]+		0	0	0	1		0.00
►Loop 4203 - computemultibodycutoffs.cpp:76-115 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 4202 - computemultibodycutoffs.cpp:76-115 - libgromacs_mpi.so.7 [...]+		0	0	0	1		0.00
○Loop 4204 - computemultibodycutoffs.cpp:76-115 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 4199 - computemultibodycutoffs.cpp:76-136 - libgromacs_mpi.so.7 [...]+		0	0	0	1		0.00
○Loop 4200 - computemultibodycutoffs.cpp:76-136 - libgromacs_mpi.so.7 [...]		0	0	0	1		0.00
○Loop 4197 - computemultibodycutoffs.cpp:196-200 - libgromacs_mpi.so.7		0	0	0	1		0.00
○std::vector<int, std::allocator<int> >::_M_default_append(unsigned long)	libgromacs_mpi.so.7	0.01	0.03	0.03	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fopenmp -fexcess-precision=fast -funroll-all-loops -fexceptions
○__memcpy_avx_unaligned	libc-2.28.so	0.01	0.01	0.01	1	Memory (%): 100.00	8.75
►mk_mshift(_IO_FILE, t_graph, PbcType, float const () [3], float const () [3])+	libgromacs_mpi.so.7	0.01	0.02	0.02	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.88	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 5278 - mshift.cpp:454-775 - libgromacs_mpi.so.7 [...]+		0	0	0	1		0.00
►Loop 5279 - mshift.cpp:454-775 - libgromacs_mpi.so.7 [...]+		0	0	0	1		0.00
○Loop 5280 - mshift.cpp:454-643 - libgromacs_mpi.so.7 [...]		0.01	0.01	0.01	1		1.50
○Loop 5274 - mshift.cpp:759-761 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 5281 - mshift.cpp:654-656 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 5282 - mshift.cpp:654-656 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 5273 - mshift.cpp:742-744 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 5275 - vec.h:345-345 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 5276 - vec.h:345-345 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 5283 - mshift.cpp:712-714 - libgromacs_mpi.so.7		0	0	0	1		0.00
○Loop 5277 - cmath:464-464 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&) [clone ._omp_fn.0]+	libgromacs_mpi.so.7	0.01	0.03	0.03	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 14611 - manage_threading.cpp:336-401 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 14610 - manage_threading.cpp:351-365 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 14613 - threaded_force_buffer.h:110-110 - libgromacs_mpi.so.7 [...]+		0.01	0.03	0.03	1		0.00
○Loop 14614 - threaded_force_buffer.h:110-110 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 14612 - utilities.h:57-57 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►gmx::dd_partition_system(_IO_FILE, gmx::MDLogger const&, long, t_commrec const, bool, int, t_state, gmx_mtop_t const&, t_inputrec const&, gmx::ImdSession, pull_t, t_state, gmx::ForceBuffers, gmx::MDAtoms, gmx_localtop_t, t_forcerec, g...+	libgromacs_mpi.so.7	0.01	0.01	0.01	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 4658 - partition.cpp:442-3377 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 4653 - stl_vector.h:100-1934 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4677 - partition.cpp:732-737 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 4649 - partition.cpp:1268-2986 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 4651 - partition.cpp:1268-1286 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4650 - partition.cpp:1277-1283 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4652 - unique_ptr.h:191-191 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 4655 - partition.cpp:573-604 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4656 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 4644 - stl_vector.h:100-1934 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4665 - partition.cpp:1207-1207 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4647 - stl_vector.h:1012-1012 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4648 - stl_vector.h:1013-1930 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4675 - partition.cpp:445-447 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4643 - char_traits.h:354-431 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4662 - char_traits.h:354-431 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4667 - partition.cpp:2213-2217 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 4646 - arrayref.h:72-311 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4657 - partition.cpp:551-565 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4645 - partition.cpp:2552-2557 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4669 - hashedmap.h:290-293 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4661 - stl_vector.h:988-988 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4670 - ga2la.h:156-158 - libgromacs_mpi.so.7 [...]		0	0.01	0.01	1		0.00
○Loop 4673 - stl_algobase.h:383-385 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4659 - domdec_internal.h:250-258 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4671 - stl_algobase.h:383-385 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4668 - partition.cpp:445-447 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4674 - partition.cpp:2517-2519 - libgromacs_mpi.so.7		0	0	0	1		0.00
○Loop 4672 - partition.cpp:2517-2519 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4676 - partition.cpp:722-729 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4666 - stl_algobase.h:235-235 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 4664 - partition.cpp:968-2948 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4663 - char_traits.h:354-431 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4679 - partition.cpp:465-467 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4654 - partition.cpp:611-615 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4678 - partition.cpp:445-447 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4660 - partition.cpp:3233-3233 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4680 - partition.cpp:1178-1182 - libgromacs_mpi.so.7		0	0	0	0		0.00
○__GI___exp	libm-2.28.so	0.01	0.01	0.01	1	Math (%): 100.00	10.13
►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))\|\|(!(1)), float>::type (anonymous namespace)::rbdihs<(BondedKernelFlavor)2>(int, int const, t_iparams const, float const () [3], float () [4], float () [3], t_pbc const, flo...+	libgromacs_mpi.so.7	0.01	0.03	0.03	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	1.54	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
○Loop 14554 - bonded.cpp:2960-3032 - libgromacs_mpi.so.7 [...]		0.01	0.03	0.03	1		1.54
○fftwf_mkplan_hc2hc	libfftw3f.so.3.5.5	0.01	0.01	0.01	1	Math (%): 100.00	17.50
►gmx::set_lincs_matrix(gmx::Lincs*, gmx::ArrayRef<float const>, float) [clone ._omp_fn.0]+	libgromacs_mpi.so.7	0.01	0.02	0.02	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.38	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 13239 - lincs.cpp:1248-1353 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 13240 - lincs.cpp:1251-1353 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 13241 - lincs.cpp:1253-1353 - libgromacs_mpi.so.7 [...]+		0.01	0.02	0.02	1		0.38
○Loop 13242 - lincs.cpp:1291-1353 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►dd_redistribute_cg(_IO_FILE, long, gmx_domdec_t, int, t_state, t_forcerec, t_nrnb, int*) [clone ._omp_fn.0]+	libgromacs_mpi.so.7	0.01	0.03	0.03	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00
►Loop 4698 - - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 4697 - - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4699 - - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4700 - - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 4693 - - libgromacs_mpi.so.7 [...]+		0	0	0	1		0.00
►Loop 4692 - - libgromacs_mpi.so.7 [...]+		0.01	0.03	0.03	1		0.00
○Loop 4694 - - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4695 - - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4696 - - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef<float const>, float, bool, t_commrec const, gmx::Lincs) [clone ._omp_fn.0]+	libgromacs_mpi.so.7	0.01	0.03	0.03	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 13284 - stl_vector.h:988-1934 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 13285 - lincs.cpp:1936-1962 - libgromacs_mpi.so.7 [...]+		0.01	0.03	0.03	1		0.00
○Loop 13288 - stl_algo.h:1789-1829 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 13289 - lincs.cpp:1950-1955 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 13286 - stl_iterator.h:1107-1121 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 13287 - stl_algo.h:1789-1791 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 13290 - lincs.cpp:1942-1947 - libgromacs_mpi.so.7		0	0	0	0		0.00
○__mpn_mul_1	libc-2.28.so	0.01	0.02	0.02	1	Math (%): 100.00	0.00
○fftwf_mkproblem_rdft_0_d	libfftw3f.so.3.5.5	0.01	0.04	0.04	1	Math (%): 100.00	10.41
►unwrap_periodic_pmegrid(gmx_pme_t, float) [clone ._omp_fn.0]+	libgromacs_mpi.so.7	0.01	0.03	0.03	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 14761 - pme_grid.cpp:518-522 - libgromacs_mpi.so.7+		0	0	0	0		0.00
○Loop 14764 - pme_grid.cpp:518-520 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 14763 - pme_grid.cpp:518-522 - libgromacs_mpi.so.7+		0	0	0	0		0.00
○Loop 14762 - pme_grid.cpp:520-522 - libgromacs_mpi.so.7		0.01	0.03	0.03	1		0.00
○fftwf_rdft2_solve	libfftw3f.so.3.5.5	0.01	0.03	0.03	1	Math (%): 100.00	13.63
○_IO_file_xsputn	libc-2.28.so	0.01	0.02	0.02	1	IO (%): 100.00	0.00
►clearDDStateIndices(gmx_domdec_t*, bool)+	libgromacs_mpi.so.7	0.01	0.02	0.02	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
○Loop 4616 - partition.cpp:643-645 - libgromacs_mpi.so.7 [...]		0.01	0.02	0.02	1		0.00
○Loop 4611 - hashedmap.h:104-106 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 4614 - ga2la.h:99-99 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4615 - hashedmap.h:232-255 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4613 - ga2la.h:156-158 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4612 - hashedmap.h:290-293 - libgromacs_mpi.so.7		0	0	0	0		0.00
►unwrap_periodic_pmegrid(gmx_pme_t, float)+	libgromacs_mpi.so.7	0.01	0.03	0.03	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 14800 - pme_grid.cpp:496-504 - libgromacs_mpi.so.7+		0	0	0	0		0.00
►Loop 14802 - pme_grid.cpp:500-504 - libgromacs_mpi.so.7+		0	0	0	0		0.00
○Loop 14801 - pme_grid.cpp:502-504 - libgromacs_mpi.so.7		0.01	0.03	0.03	1		0.00
○Loop 14803 - pme_grid.cpp:500-502 - libgromacs_mpi.so.7		0	0	0	0		0.00
►dd_redistribute_cg(_IO_FILE, long, gmx_domdec_t, int, t_state, t_forcerec, t_nrnb, int*)+	libgromacs_mpi.so.7	0.01	0.01	0.01	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-gcc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	GNU C++17 12.2.0 -mavx2 -mfma -mtune=generic -march=x86-64 -g -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fexceptions
►Loop 4701 - redistribute.cpp:74-985 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4710 - stl_vector.h:988-1934 - libgromacs_mpi.so.7 [...]		0	0.01	0.01	1		0.00
►Loop 4707 - ga2la.h:99-101 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4708 - hashedmap.h:232-255 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 4702 - domdec_internal.h:352-373 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4706 - redistribute.cpp:776-811 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4709 - unique_ptr.h:191-191 - libgromacs_mpi.so.7 [...]		0	0	0	1		0.00
►Loop 4703 - redistribute.cpp:74-957 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4705 - redistribute.cpp:74-896 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4704 - utility.h:89-89 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00

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