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	61.31	178	178	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	56.90	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►Loop 1133 - kernel_outer.h:310-639 - libgromacs_mpi.so.7 [...]+		1.14	3.31	3.31	1		54.10
○Loop 1138 - kernel_outer.h:590-590 - libgromacs_mpi.so.7 [...]		39.64	115.07	115.07	1		57.68
○Loop 1136 - kernel_outer.h:608-608 - libgromacs_mpi.so.7 [...]		15.87	46.08	46.08	1		55.96
○Loop 1139 - impl_x86_avx_256_simd_float.h:71-406 - libgromacs_mpi.so.7 [...]		1.92	5.58	5.58	1		57.28
○Loop 1137 - impl_x86_avx_256_simd_float.h:71-406 - libgromacs_mpi.so.7 [...]		1.6	4.64	4.64	1		56.20
○Loop 1134 - kernel_outer.h:624-624 - libgromacs_mpi.so.7 [...]		1	2.92	2.92	1		46.59
○Loop 1135 - kernel_outer.h:618-621 - libgromacs_mpi.so.7 [...]		0.14	0.41	0.41	1		42.19
►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	9.47	27.5	27.5	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	67.04	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►Loop 1140 - kernel_outer.h:310-648 - libgromacs_mpi.so.7 [...]+		0.22	0.65	0.65	1		66.84
○Loop 1145 - kernel_outer.h:590-590 - libgromacs_mpi.so.7 [...]		6.05	17.57	17.57	1		67.47
○Loop 1143 - kernel_outer.h:608-608 - libgromacs_mpi.so.7 [...]		2.41	7.01	7.01	1		67.51
○Loop 1146 - impl_x86_avx_256_simd_float.h:71-406 - libgromacs_mpi.so.7 [...]		0.34	0.99	0.99	1		67.64
○Loop 1144 - impl_x86_avx_256_simd_float.h:71-406 - libgromacs_mpi.so.7 [...]		0.27	0.79	0.79	1		64.01
○Loop 1141 - kernel_outer.h:624-624 - libgromacs_mpi.so.7 [...]		0.16	0.45	0.45	1		46.26
○Loop 1142 - kernel_outer.h:618-621 - libgromacs_mpi.so.7 [...]		0.01	0.03	0.03	1		103.04
►spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone .extracted.11]+	libgromacs_mpi.so.7	4.16	12.09	12.09	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	8.41	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►Loop 16923 - pme_spread.cpp:188-988 - libgromacs_mpi.so.7 [...]+		0	0	0	1		0.00
►Loop 16934 - pme_spread.cpp:358-400 - libgromacs_mpi.so.7 [...]+		2.8	8.13	8.13	1		8.92
○Loop 16940 - pme_simd4.h:138-148 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 16936 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7+		0	0	0	0		0.00
►Loop 16937 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7+		0	0	0	0		0.00
○Loop 16935 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 16938 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 16939 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 16941 - pme_spread.cpp:277-975 - libgromacs_mpi.so.7 [...]+		1.36	3.95	3.95	1		7.38
►Loop 16942 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7+		0	0	0	0		0.00
►Loop 16946 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7+		0	0	0	0		0.00
○Loop 16945 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 16944 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 16943 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 16931 - pme_spread.cpp:439-447 - libgromacs_mpi.so.7+		0	0	0	0		0.00
►Loop 16932 - pme_spread.cpp:441-447 - libgromacs_mpi.so.7+		0	0	0	0		0.00
○Loop 16933 - pme_spread.cpp:445-447 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 16924 - pme_spread.cpp:439-447 - libgromacs_mpi.so.7+		0	0	0	0		0.00
►Loop 16926 - pme_spread.cpp:441-447 - libgromacs_mpi.so.7+		0	0	0	0		0.00
○Loop 16925 - pme_spread.cpp:445-447 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 16927 - pme_spread.cpp:445-447 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 16928 - pme_spread.cpp:439-447 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 16929 - pme_spread.cpp:441-447 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 16930 - pme_spread.cpp:441-447 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 16947 - pme_spread.cpp:188-199 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 16949 - pme_spread.cpp:197-199 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 16948 - pme_spread.cpp:197-199 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 16950 - 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	3.5	10.17	10.17	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	30.06	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►Loop 16649 - pme_gather.cpp:91-348 - libgromacs_mpi.so.7 [...]+		1.79	5.21	5.21	1		28.42
○Loop 16654 - pme_gather.cpp:156-156 - libgromacs_mpi.so.7 [...]		1.71	4.97	4.97	1		31.71
○Loop 16648 - pme_gather.cpp:247-251 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 16651 - pme_gather.cpp:103-323 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 16652 - pme_gather.cpp:109-323 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 16653 - pme_gather.cpp:116-120 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 16650 - pme_gather.cpp:116-120 - libgromacs_mpi.so.7		0	0	0	0		0.00
►fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)+	libgromacs_mpi.so.7	2.12	6.14	6.14	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.02	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►Loop 17008 - fft5d.cpp:789-1407 - libgromacs_mpi.so.7 [...]+		0	0	0	1		0.00
►Loop 17023 - fft5d.cpp:789-820 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 17024 - fft5d.cpp:810-820 - libgromacs_mpi.so.7+		0	0	0	0		0.00
►Loop 17025 - fft5d.cpp:814-820 - libgromacs_mpi.so.7+		0	0	0	0		0.00
○Loop 17026 - fft5d.cpp:818-820 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 17027 - fft5d.cpp:818-820 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 17016 - fft5d.cpp:854-1166 - libgromacs_mpi.so.7 [...]+		0	0.01	0.01	1		0.25
►Loop 17017 - fft5d.cpp:876-1166 - libgromacs_mpi.so.7 [...]+		0	0.01	0.01	1		0.75
►Loop 17018 - fft5d.cpp:880-886 - libgromacs_mpi.so.7+		0.03	0.08	0.08	1		0.00
○Loop 17020 - fft5d.cpp:884-886 - libgromacs_mpi.so.7		1.43	4.16	4.16	1		0.01
○Loop 17019 - fft5d.cpp:884-886 - libgromacs_mpi.so.7		0.01	0.01	0.01	1		0.00
►Loop 17021 - fft5d.cpp:880-886 - libgromacs_mpi.so.7+		0	0	0	0		0.00
○Loop 17022 - fft5d.cpp:884-886 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 17009 - fft5d.cpp:918-1166 - libgromacs_mpi.so.7 [...]+		0	0	0	1		0.00
►Loop 17010 - fft5d.cpp:939-1166 - libgromacs_mpi.so.7 [...]+		0.01	0.01	0.01	1		1.25
►Loop 17011 - fft5d.cpp:943-949 - libgromacs_mpi.so.7+		0.02	0.04	0.04	1		0.03
○Loop 17013 - fft5d.cpp:947-949 - libgromacs_mpi.so.7		0.61	1.78	1.78	1		0.01
○Loop 17012 - fft5d.cpp:947-949 - libgromacs_mpi.so.7		0.01	0.02	0.02	1		0.00
►Loop 17014 - fft5d.cpp:943-949 - libgromacs_mpi.so.7+		0	0	0	0		0.00
○Loop 17015 - fft5d.cpp:947-949 - libgromacs_mpi.so.7		0	0	0	0		0.00
►gmx::lincs_matrix_expand(gmx::Lincs const&, gmx::Task const&, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<float>)+	libgromacs_mpi.so.7	1.91	5.54	5.54	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	3.20	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○Loop 14741 - lincs.cpp:320-322 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 14742 - lincs.cpp:320-320 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 14747 - lincs.cpp:270-287 - libgromacs_mpi.so.7 [...]+		0	0	0	1		0.00
►Loop 14748 - lincs.cpp:270-287 - libgromacs_mpi.so.7 [...]+		0.86	2.49	2.49	1		3.27
○Loop 14750 - lincs.cpp:282-284 - libgromacs_mpi.so.7 [...]		0.85	2.47	2.47	1		3.25
○Loop 14749 - lincs.cpp:282-284 - libgromacs_mpi.so.7		0.2	0.57	0.57	1		2.73
►Loop 14743 - lincs.cpp:270-340 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 14744 - lincs.cpp:270-340 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 14745 - lincs.cpp:332-336 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 14746 - lincs.cpp:332-336 - libgromacs_mpi.so.7		0	0	0	0		0.00
►PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t, gmx::ListOfLists<int> const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.67]+	libgromacs_mpi.so.7	1.44	4.19	4.19	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	4.76	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►Loop 3893 - stl_algobase.h:200-754 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 3892 - pairlist.cpp:152-4018 - libgromacs_mpi.so.7 [...]+		0.1	0.29	0.29	1		3.85
○Loop 3904 - pairlist_simd_4xm.h:136-193 - libgromacs_mpi.so.7 [...]		0.5	1.45	1.45	1		4.30
►Loop 3891 - pairlist.cpp:184-4018 - libgromacs_mpi.so.7 [...]+		0.14	0.41	0.41	1		5.69
○Loop 3912 - pairlist.cpp:3407-3409 - libgromacs_mpi.so.7		0.25	0.72	0.72	1		4.20
○Loop 3913 - pairlist.cpp:3392-3394 - libgromacs_mpi.so.7		0.05	0.15	0.15	1		4.67
►Loop 3890 - pairlist.cpp:184-4018 - libgromacs_mpi.so.7 [...]+		0.01	0.04	0.04	1		4.94
►Loop 3914 - pairlist.cpp:184-4018 - libgromacs_mpi.so.7 [...]+		0.02	0.07	0.07	1		7.88
○Loop 3927 - pairlist.cpp:1991-1995 - libgromacs_mpi.so.7		0.03	0.07	0.07	1		3.95
○Loop 3929 - pairlist.cpp:1981-1985 - libgromacs_mpi.so.7		0.02	0.05	0.05	1		6.18
►Loop 3889 - pairlist.cpp:184-4018 - libgromacs_mpi.so.7 [...]+		0.01	0.01	0.01	1		16.50
►Loop 3888 - pairlist.cpp:184-4018 - libgromacs_mpi.so.7 [...]+		0.01	0.04	0.04	1		5.78
○Loop 3920 - pairlist.cpp:272-276 - libgromacs_mpi.so.7		0.01	0.01	0.01	1		8.88
○Loop 3919 - pairlist.cpp:281-283 - libgromacs_mpi.so.7		0.01	0.02	0.02	1		4.19
►Loop 3887 - pairlist.cpp:184-4018 - libgromacs_mpi.so.7 [...]+		0	0	0	1		0.00
►Loop 3886 - pairlist.cpp:184-4018 - libgromacs_mpi.so.7 [...]+		0	0	0	1		0.00
►Loop 3885 - pairlist.cpp:223-4018 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 3884 - pairlist.cpp:223-4018 - libgromacs_mpi.so.7 [...]+		0	0.01	0.01	1		3.38
►Loop 3882 - pairlist.cpp:223-4018 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 3921 - pairlist.cpp:258-3129 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 3922 - pairlist.cpp:2891-2891 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 3923 - pairlist.cpp:2891-2891 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 3846 - pairlist.cpp:223-4018 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 3881 - pairlist.cpp:258-3129 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 3848 - pairlist.cpp:230-4018 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 3849 - pairlist.cpp:230-4018 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 3850 - pairlist.cpp:230-4018 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 3880 - pairlist.cpp:272-276 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 3879 - pairlist.cpp:281-283 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 3852 - pairlist.cpp:230-4018 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 3862 - pairlist.cpp:613-1255 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 3854 - pairlist.cpp:865-1834 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 3855 - pairlist.cpp:865-1834 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 3856 - pairlist.cpp:865-1816 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 3857 - grid.h:239-295 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 3858 - pairlist.cpp:865-1816 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 3863 - pairlist.cpp:230-3958 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 3864 - pairlist.cpp:230-3958 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 3865 - pairlist.cpp:230-3958 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 3866 - pairlist.cpp:230-3958 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 3874 - pairlist.cpp:1152-1188 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 3869 - pairlist.cpp:900-3958 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 3870 - pairlist.cpp:902-904 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 3868 - pairlist.cpp:902-904 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 3871 - pairlist.cpp:900-3958 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 3872 - pairlist.cpp:902-904 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 3867 - pairlist.cpp:902-904 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 3873 - pairlist.cpp:517-596 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 3875 - pairlist.cpp:3407-3409 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 3876 - pairlist.cpp:3392-3394 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 3877 - pairlist.cpp:279-283 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 3853 - stl_vector.h:933-1085 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 3859 - pairlist.cpp:613-1938 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 3860 - pairlist.cpp:613-1938 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 3861 - pairlist.cpp:613-1326 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 3851 - pairlist.cpp:2348-2358 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 3878 - pairlist.cpp:272-276 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 3847 - pairlist.cpp:2778-2781 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 3883 - pairlist.cpp:2778-2781 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 3917 - pairlist.cpp:279-283 - libgromacs_mpi.so.7		0.01	0.02	0.02	1		4.44
○Loop 3918 - pairlist.cpp:272-276 - libgromacs_mpi.so.7		0.01	0.01	0.01	1		5.38
►Loop 3933 - pairlist.cpp:607-1420 - libgromacs_mpi.so.7 [...]+		0.01	0.04	0.04	1		6.03
►Loop 3934 - pairlist.cpp:607-1420 - libgromacs_mpi.so.7 [...]+		0.06	0.18	0.18	1		5.88
○Loop 3935 - pairlist.cpp:607-1326 - libgromacs_mpi.so.7 [...]		0.02	0.04	0.04	1		9.22
○Loop 3924 - pairlist.cpp:1998-2000 - libgromacs_mpi.so.7		0.01	0.02	0.02	1		4.44
○Loop 3936 - pairlist.cpp:1252-1255 - libgromacs_mpi.so.7		0	0	0	1		0.00
○Loop 3926 - pairlist.cpp:1991-1995 - libgromacs_mpi.so.7		0	0	0	1		0.00
○Loop 3915 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 3930 - pairlist.cpp:1432-1648 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 3931 - pairlist.cpp:1432-1638 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 3932 - pairlist.cpp:1432-1638 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 3925 - pairlist.cpp:1998-2000 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 3916 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 3928 - pairlist.cpp:1981-1985 - libgromacs_mpi.so.7		0	0	0	1		0.00
○Loop 3903 - pairlist_simd_4xm.h:204-260 - libgromacs_mpi.so.7 [...]		0.13	0.38	0.38	1		4.58
►Loop 3900 - pairlist.cpp:152-3958 - libgromacs_mpi.so.7 [...]+		0.04	0.12	0.12	1		6.31
○Loop 3901 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...]		0.01	0.01	0.01	1		0.00
○Loop 3902 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 3899 - pairlist_simd_2xmm.h:130-174 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 3895 - vector.tcc:471-473 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 3896 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 3897 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 3908 - pairlist.cpp:1028-1062 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 3909 - pairlist.cpp:1045-1057 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 3898 - pairlist_simd_2xmm.h:185-229 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 3905 - vector.tcc:471-473 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 3906 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 3907 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 3910 - pairlist.cpp:983-1017 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 3911 - pairlist.cpp:1000-1012 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 3894 - pairlist.cpp:3008-3008 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 3845 - clusterdistancekerneltype.h:79-79 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►nbnxn_kernel_prune_4xn(NbnxnPairlistCpu, nbnxn_atomdata_t const, gmx::ArrayRef<gmx::BasicVector<float> const>, float)+	libgromacs_mpi.so.7	1.04	3.03	3.03	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	56.36	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►Loop 1616 - kernel_prune.cpp:76-176 - libgromacs_mpi.so.7 [...]+		0.03	0.08	0.08	1		55.88
○Loop 1617 - kernel_prune.cpp:115-167 - libgromacs_mpi.so.7 [...]		1.02	2.95	2.95	1		56.37
►void gmx::settleTemplateWrapper<gmx::SimdFloat, gmx::SimdFBool, 8, float const>(gmx::SettleData const&, int, int, float const, float const, float, float, float, bool, float () [3], bool*)+	libgromacs_mpi.so.7	0.83	2.41	2.41	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	16.57	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○Loop 15024 - settle.cpp:423-423 - libgromacs_mpi.so.7 [...]		0.76	2.2	2.2	1		16.02
○Loop 15025 - settle.cpp:423-423 - libgromacs_mpi.so.7 [...]		0.07	0.2	0.2	1		23.34
○Loop 15023 - settle.cpp:423-423 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 15022 - settle.cpp:423-423 - libgromacs_mpi.so.7 [...]		0	0	0	1		0.00
►solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)+	libgromacs_mpi.so.7	0.76	2.21	2.21	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	37.73	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►Loop 16816 - pme_solve.cpp:234-561 - libgromacs_mpi.so.7 [...]+		0.08	0.23	0.23	1		48.92
○Loop 16820 - pme_solve.cpp:234-234 - libgromacs_mpi.so.7 [...]		0.21	0.6	0.6	1		25.87
○Loop 16817 - pme_solve.cpp:555-560 - libgromacs_mpi.so.7		0.11	0.31	0.31	1		49.93
○Loop 16824 - pme_solve.cpp:522-531 - libgromacs_mpi.so.7		0.07	0.2	0.2	1		69.22
○Loop 16822 - pme_solve.cpp:534-543 - libgromacs_mpi.so.7		0.07	0.19	0.19	1		73.51
○Loop 16834 - pme_solve.cpp:457-470 - libgromacs_mpi.so.7		0.07	0.19	0.19	1		22.86
○Loop 16835 - pme_solve.cpp:441-454 - libgromacs_mpi.so.7		0.05	0.14	0.14	1		19.75
○Loop 16827 - pme_solve.cpp:486-496 - libgromacs_mpi.so.7		0.04	0.13	0.13	1		20.62
○Loop 16826 - pme_solve.cpp:499-511 - libgromacs_mpi.so.7		0.04	0.11	0.11	1		6.91
○Loop 16829 - pme_solve.cpp:234-234 - libgromacs_mpi.so.7 [...]		0.02	0.07	0.07	1		36.82
○Loop 16832 - pme_solve.cpp:473-475 - libgromacs_mpi.so.7		0.01	0.01	0.01	1		15.88
○Loop 16825 - pme_solve.cpp:486-496 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 16819 - pme_solve.cpp:234-234 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 16821 - pme_solve.cpp:534-543 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 16828 - pme_solve.cpp:234-234 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 16830 - pme_solve.cpp:473-475 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 16818 - pme_solve.cpp:555-561 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 16831 - pme_solve.cpp:473-475 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 16833 - pme_solve.cpp:473-475 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 16823 - pme_solve.cpp:522-531 - 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	0.73	2.13	2.13	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	7.65	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○Loop 14740 - lincs.cpp:798-810 - libgromacs_mpi.so.7 [...]		0.36	1.05	1.05	1		7.50
○Loop 14737 - lincs.cpp:1098-1098 - libgromacs_mpi.so.7 [...]		0.02	0.06	0.06	1		1.65
○Loop 14727 - lincs.cpp:1215-1223 - libgromacs_mpi.so.7		0.01	0.04	0.04	1		9.03
►Loop 14738 - lincs.cpp:1085-1089 - libgromacs_mpi.so.7 [...]+		0.01	0.03	0.03	1		7.00
○Loop 14739 - lincs.cpp:1087-1089 - libgromacs_mpi.so.7 [...]		0.2	0.58	0.58	1		4.39
►Loop 14732 - lincs.cpp:798-1173 - libgromacs_mpi.so.7 [...]+		0	0	0	1		0.00
○Loop 14735 - lincs.cpp:919-931 - libgromacs_mpi.so.7 [...]		0.11	0.32	0.32	1		15.64
○Loop 14734 - lincs.cpp:1155-1155 - libgromacs_mpi.so.7 [...]		0.01	0.03	0.03	1		5.46
○Loop 14733 - lincs.cpp:1155-1155 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 14730 - lincs.cpp:1193-1195 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 14728 - lincs.cpp:1202-1207 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 14729 - lincs.cpp:1202-1207 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 14736 - lincs.cpp:1098-1098 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 14731 - lincs.cpp:1193-1195 - libgromacs_mpi.so.7		0	0.01	0.01	1		1.88
○mkl_dft_avx2_ownscDftFwd_Prime8_32fc	libmkl_avx2.so.2	0.72	2.1	2.1	1	Math (%): 100.00	22.60
○mkl_dft_avx2_ownscDftInv_Prime8_32fc	libmkl_avx2.so.2	0.71	2.06	2.06	1	Math (%): 100.00	22.59
►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	0.68	1.98	1.98	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	14.12	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○Loop 16283 - bonded.cpp:1151-1170 - libgromacs_mpi.so.7 [...]		0.68	1.98	1.98	1		14.12
►spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone .extracted.18]+	libgromacs_mpi.so.7	0.56	1.63	1.63	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	5.50	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►Loop 16951 - pme_spread.cpp:75-918 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 16960 - pme_spread.cpp:104-133 - libgromacs_mpi.so.7 [...]		0.56	1.62	1.62	1		5.54
○Loop 16964 - pme_spread.cpp:96-98 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 16952 - pme_spread.cpp:172-174 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 16963 - pme_spread.cpp:96-98 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 16957 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 16958 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 16955 - pme_spread.cpp:165-167 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 16962 - pme_spread.cpp:96-98 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 16956 - stl_iterator.h:1123-1123 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 16959 - pme_spread.cpp:154-156 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 16954 - pme_spread.cpp:165-167 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 16953 - pme_spread.cpp:172-174 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 16961 - pme_spread.cpp:104-145 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►void do_pairs_simple<gmx::SimdFloat, 8, float const>(int, int const, t_iparams const, float const () [3], float () [4], float const, gmx::ArrayRef<float>, float)+	libgromacs_mpi.so.7	0.55	1.59	1.59	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	6.77	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○Loop 16514 - pairs.cpp:863-884 - libgromacs_mpi.so.7 [...]		0.55	1.59	1.59	1		6.77
○(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	0.49	1.43	1.43	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	14.04	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►pbc_dx_aiuc(t_pbc const, float const, float const, float)+	libgromacs_mpi.so.7	0.42	1.2	1.2	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	3.02	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○Loop 5599 - pbc.cpp:939-941 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 5603 - pbc.cpp:860-862 - libgromacs_mpi.so.7		0	0	0	1		0.00
○Loop 5606 - pbc.cpp:852-854 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 5600 - pbc.cpp:947-949 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 5594 - pbc.cpp:823-1006 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 5595 - pbc.cpp:993-997 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 5597 - pbc.cpp:993-997 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 5596 - pbc.cpp:993-997 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 5601 - pbc.cpp:939-941 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 5604 - pbc.cpp:852-854 - libgromacs_mpi.so.7		0	0	0	1		0.00
○Loop 5598 - pbc.cpp:947-949 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 5602 - pbc.cpp:899-903 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 5605 - pbc.cpp:860-862 - libgromacs_mpi.so.7		0	0	0	0		0.00
►__intel_avx_rep_memset+	gmx_mpi	0.4	1.17	1.16	1	Memory (%): 100.00	0.08
○Loop 97 - - gmx_mpi		0	0	0	1		0.00
►__intel_avx_rep_memcpy+	gmx_mpi	0.37	1.06	1.06	1	Memory (%): 100.00	0.00
○Loop 96 - - gmx_mpi		0.21	0.6	0.6	1		0.00
○Loop 95 - - gmx_mpi		0	0	0	1		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	0.37	1.06	1.06	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	20.17	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○Loop 16292 - bonded.cpp:2066-2126 - libgromacs_mpi.so.7 [...]		0.36	1.05	1.05	1		20.36
►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	0.37	1.07	1.07	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	11.14	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○Loop 14752 - lincs.cpp:368-383 - libgromacs_mpi.so.7 [...]		0.37	1.06	1.06	1		11.24
○Loop 14751 - lincs.cpp:388-401 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○mkl_dft_avx2_ipps_cFFTfwd_64_32fc	libmkl_avx2.so.2	0.35	1.02	1.02	1	Math (%): 100.00	12.58
○mkl_dft_avx2_ownscDftFwd_Fact4_32fc	libmkl_avx2.so.2	0.33	0.95	0.95	1	Math (%): 100.00	6.37
○_ZN12_GLOBAL__N_124do_dih_fup_noshiftf_simdEPKiS1_S1_S1_N3gmx9SimdFloatES3_S3_S3_S3_S3_S3_S3_PA4_f@@296	libgromacs_mpi.so.7	0.33	0.95	0.95	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	26.17	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○mkl_dft_avx2_ownscDftInv_Fact3_32fc	libmkl_avx2.so.2	0.33	0.95	0.95	1	Math (%): 100.00	17.86
►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	0.32	0.94	0.94	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	9.56	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○Loop 15171 - update.cpp:481-481 - libgromacs_mpi.so.7 [...]		0.28	0.82	0.82	1		9.27
○Loop 15170 - update.cpp:361-387 - libgromacs_mpi.so.7 [...]		0.04	0.12	0.12	1		11.57
○Loop 15166 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 15155 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 15169 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 15181 - update.cpp:949-965 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 15156 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 15174 - update.cpp:368-387 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 15162 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 15172 - update.cpp:368-387 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 15176 - update.cpp:361-387 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 15165 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 15173 - update.cpp:368-387 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 15182 - update.cpp:893-914 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 15180 - update.cpp:1137-1190 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 15159 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 15177 - update.cpp:1291-1332 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 15178 - update.cpp:1291-1332 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 15175 - update.cpp:361-387 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 15158 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 15161 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 15168 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 15164 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 15167 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 15179 - update.cpp:1137-1190 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 15157 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 15160 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 15154 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 15163 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○mkl_dft_avx2_ownscDftFwd_Fact3_32fc	libmkl_avx2.so.2	0.31	0.9	0.9	1	Math (%): 100.00	18.69
○mkl_dft_avx2_ownscDftInv_Fact4_32fc	libmkl_avx2.so.2	0.31	0.9	0.9	1	Math (%): 100.00	5.78
○mkl_dft_avx2_owns_cCcsRecombine_32f	libmkl_avx2.so.2	0.29	0.84	0.84	1	Math (%): 100.00	12.48
○mkl_dft_avx2_owns_cRealRecombine_32f	libmkl_avx2.so.2	0.24	0.69	0.69	1	Math (%): 100.00	17.89
○mkl_dft_avx2_ipps_cFFTinv_64_32fc	libmkl_avx2.so.2	0.22	0.63	0.63	1	Math (%): 100.00	22.52
►copy_rvec_to_nbat_real(int const, int, int, float const () [3], int, float*, int)+	libgromacs_mpi.so.7	0.22	0.63	0.63	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○Loop 2259 - atomdata.cpp:226-233 - libgromacs_mpi.so.7		0.22	0.63	0.63	1		0.00
○Loop 2261 - atomdata.cpp:207-214 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2260 - atomdata.cpp:207-214 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2258 - atomdata.cpp:240-247 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2264 - atomdata.cpp:161-163 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2262 - atomdata.cpp:193-200 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2257 - atomdata.cpp:240-247 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2256 - atomdata.cpp:172-176 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2265 - atomdata.cpp:154-158 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2255 - atomdata.cpp:180-184 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2263 - atomdata.cpp:161-163 - libgromacs_mpi.so.7		0	0	0	0		0.00
►reduceForces(nbnxn_atomdata_t, gmx::AtomLocality, Nbnxm::GridSet const&, float () [3]) [clone .extracted]+	libgromacs_mpi.so.7	0.2	0.57	0.57	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	1.46	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►Loop 2321 - atomdata.cpp:1149-1268 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 2324 - atomdata.cpp:1173-1179 - libgromacs_mpi.so.7 [...]		0.2	0.57	0.57	1		1.46
○Loop 2322 - atomdata.cpp:1153-1159 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2323 - atomdata.cpp:1163-1169 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►setupForceOutputs(ForceHelperBuffers, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::DomainLifetimeWorkload const&, gmx::StepWorkload const&, bool, gmx_wallcycle)+	libgromacs_mpi.so.7	0.15	0.44	0.44	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○Loop 15059 - sim_util.cpp:466-466 - libgromacs_mpi.so.7 [...]		0.14	0.4	0.4	1		0.00
○Loop 15057 - sim_util.cpp:466-466 - libgromacs_mpi.so.7 [...]		0.01	0.03	0.03	1		0.00
○Loop 15058 - sim_util.cpp:466-466 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○DftiComputeBackward	libmkl_intel_lp64.so.2	0.15	0.43	0.43	1	Math (%): 100.00	26.46
○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	0.36	0.36	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	2.77	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○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)	libgromacs_mpi.so.7	0.13	0.37	0.37	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	2.85	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○bond_angle(float const, float const, float const, t_pbc const, float, float, float, int, int*)	libgromacs_mpi.so.7	0.12	0.36	0.36	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	4.94	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○evaluate_single(float, float, float const, float, float, float, float, float, float*)	libgromacs_mpi.so.7	0.12	0.35	0.35	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	2.80	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○DftiComputeForward	libmkl_intel_lp64.so.2	0.11	0.3	0.3	1	Math (%): 100.00	29.93
○mkl_dft_avx2_ownscDftInv_PrimeFact_32fc	libmkl_avx2.so.2	0.11	0.31	0.31	1	Math (%): 100.00	19.69
○compute_1d_small_fwd	libmkl_avx2.so.2	0.11	0.31	0.31	1	Math (%): 100.00	14.11
○__libm_sincosf_e7	gmx_mpi	0.11	0.32	0.32	1	Exe (%): 100.00	2.55
○__libm_erfcf_ex	gmx_mpi	0.1	0.28	0.28	1	Math (%): 100.00	2.92
►gmx::Update::Impl::finish_update(t_inputrec const&, bool, int, gmx::ArrayRef<unsigned short const>, t_state, gmx_wallcycle, bool) [clone .extracted]+	libgromacs_mpi.so.7	0.1	0.3	0.3	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○Loop 15184 - update.cpp:1637-1641 - libgromacs_mpi.so.7 [...]		0.1	0.3	0.3	1		0.00
○Loop 15183 - update.cpp:1637-1641 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○energyDriftAtomPair(bool, bool, float, float, float, float, pot_derivatives_t const*)	libgromacs_mpi.so.7	0.09	0.27	0.27	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	4.38	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►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	0.09	0.25	0.25	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	2.35	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○Loop 16338 - vec.h:141-335 - libgromacs_mpi.so.7 [...]		0.09	0.25	0.25	1		2.35
►calc_ke_part_normal(gmx::ArrayRef<gmx::BasicVector<float> const>, t_grpopts const, t_mdatoms const, gmx_ekindata_t, t_nrnb, bool) [clone .extracted]+	libgromacs_mpi.so.7	0.08	0.24	0.24	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	9.96	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►Loop 14816 - md_support.cpp:113-157 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 14817 - md_support.cpp:139-157 - libgromacs_mpi.so.7 [...]		0.08	0.24	0.24	1		9.96
►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	0.08	0.24	0.24	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	2.84	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►Loop 16347 - bonded.cpp:1913-2011 - libgromacs_mpi.so.7 [...]+		0.01	0.03	0.03	1		4.17
○Loop 16348 - bonded.cpp:1913-2008 - libgromacs_mpi.so.7 [...]		0.07	0.21	0.22	1		2.53
○mkl_dft_avx2_ownscDftFwd_PrimeFact_32fc	libmkl_avx2.so.2	0.08	0.22	0.22	1	Math (%): 100.00	27.27
○__libm_atan2f_l9	gmx_mpi	0.08	0.23	0.23	1	Math (%): 100.00	3.74
○compute_1d_small_bwd	libmkl_avx2.so.2	0.08	0.24	0.24	1	Math (%): 100.00	23.40
►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	0.25	0.24	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	3.47	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►Loop 5279 - threaded_force_buffer.cpp:170-211 - libgromacs_mpi.so.7 [...]+		0.01	0.04	0.04	1		2.94
○Loop 5283 - threaded_force_buffer.cpp:200-200 - libgromacs_mpi.so.7 [...]		0.07	0.19	0.19	1		3.67
○Loop 5284 - threaded_force_buffer.cpp:182-186 - libgromacs_mpi.so.7 [...]		0.01	0.01	0.01	1		1.75
►Loop 5280 - threaded_force_buffer.cpp:207-211 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 5282 - threaded_force_buffer.cpp:209-211 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 5281 - threaded_force_buffer.cpp:209-211 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 5285 - threaded_force_buffer.cpp:182-186 - 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	0.07	0.19	0.19	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	2.78	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○Loop 16513 - vec.h:141-345 - libgromacs_mpi.so.7 [...]		0.07	0.19	0.19	1		2.76
○Loop 16512 - vec.h:141-345 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○mkl_serv_verbose_mode	libmkl_core.so.2	0.07	0.19	0.19	1	Math (%): 100.00	18.86
►gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()+	libgromacs_mpi.so.7	0.07	0.2	0.2	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○Loop 5340 - threaded_force_buffer.cpp:78-78 - libgromacs_mpi.so.7 [...]		0.07	0.2	0.2	1		0.00
○Loop 5332 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 5331 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 5338 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 5337 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 5339 - threaded_force_buffer.cpp:78-78 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 5335 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 5330 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 5329 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 5336 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 5333 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 5334 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.7		0	0	0	0		0.00
○__libm_exp_l9	gmx_mpi	0.05	0.15	0.15	1	Math (%): 100.00	3.17
►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-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	1.55	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►Loop 16692 - pme_grid.cpp:465-471 - libgromacs_mpi.so.7+		0	0	0	0		0.00
►Loop 16693 - pme_grid.cpp:467-471 - libgromacs_mpi.so.7+		0	0	0	0		0.00
○Loop 16695 - pme_grid.cpp:469-471 - libgromacs_mpi.so.7		0.01	0.04	0.04	1		1.56
○Loop 16694 - pme_grid.cpp:469-471 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 16700 - pme_grid.cpp:436-442 - libgromacs_mpi.so.7+		0	0	0	0		0.00
►Loop 16701 - pme_grid.cpp:438-442 - libgromacs_mpi.so.7+		0	0	0	1		0.00
○Loop 16702 - pme_grid.cpp:440-442 - libgromacs_mpi.so.7		0.02	0.05	0.05	1		1.18
○Loop 16703 - pme_grid.cpp:440-442 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 16696 - pme_grid.cpp:440-455 - libgromacs_mpi.so.7 [...]+		0	0	0	1		0.00
►Loop 16697 - pme_grid.cpp:451-455 - libgromacs_mpi.so.7+		0	0	0	0		0.00
○Loop 16699 - pme_grid.cpp:453-455 - libgromacs_mpi.so.7		0.01	0.03	0.03	1		2.58
○Loop 16698 - pme_grid.cpp:453-455 - libgromacs_mpi.so.7		0	0	0	0		0.00
○mkl_dft_avx2_ippsFFTInv_CCSToR_32f	libmkl_avx2.so.2	0.05	0.15	0.15	1	Math (%): 100.00	22.34
○compute_1d_small_fwd	libmkl_avx2.so.2	0.05	0.15	0.15	1	Math (%): 100.00	31.03
○compute_1d_small_bwd	libmkl_avx2.so.2	0.05	0.14	0.14	1	Math (%): 100.00	19.46
○__libm_expf_l9	gmx_mpi	0.04	0.11	0.12	1	Math (%): 100.00	3.07
○__libm_acosf_l9	gmx_mpi	0.04	0.1	0.1	1	Math (%): 100.00	2.76
►unwrap_periodic_pmegrid(gmx_pme_t, float) [clone .extracted]+	libgromacs_mpi.so.7	0.04	0.11	0.11	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►Loop 16723 - pme_grid.cpp:529-539 - libgromacs_mpi.so.7+		0	0	0	0		0.00
►Loop 16724 - pme_grid.cpp:535-539 - libgromacs_mpi.so.7+		0	0.01	0.01	1		0.00
○Loop 16725 - pme_grid.cpp:537-539 - libgromacs_mpi.so.7		0.03	0.1	0.1	1		0.00
○Loop 16726 - pme_grid.cpp:537-539 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Unknown function	libgromacs_mpi.so.7	0.04	0.12	0.12	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	3.56
►dd_make_local_constraints(gmx_domdec_t, int, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::Constraints, int, gmx::ArrayRef<InteractionList>) [clone .extracted]+	libgromacs_mpi.so.7	0.03	0.07	0.07	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►Loop 4414 - domdec_constraints.cpp:230-480 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 4415 - stl_vector.h:296-1660 - libgromacs_mpi.so.7 [...]+		0.01	0.03	0.03	1		0.00
►Loop 4419 - ga2la.h:112-126 - libgromacs_mpi.so.7 [...]+		0.02	0.05	0.05	1		0.00
○Loop 4420 - hashedmap.h:277-282 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 4417 - ga2la.h:112-126 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4418 - hashedmap.h:277-282 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4416 - mtop_lookup.h:93-106 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○mkl_dft_avx2_ippsDFTFwd_RToCCS_32f	libmkl_avx2.so.2	0.03	0.09	0.09	1	Math (%): 100.00	27.83
○__GI___printf_fp_l	libc-2.28.so	0.03	0.07	0.07	1	IO (%): 100.00	0.00
○mkl_dft_avx2_ippsFFTFwd_RToPerm_32f	libmkl_avx2.so.2	0.03	0.1	0.1	1	Math (%): 100.00	18.44
►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	0.03	0.07	0.07	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○Loop 2403 - grid.cpp:476-483 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 2404 - grid.cpp:476-483 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 2409 - grid.cpp:911-915 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2407 - grid.cpp:921-923 - libgromacs_mpi.so.7		0	0	0	1		0.00
○Loop 2408 - grid.cpp:921-923 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2406 - grid.cpp:504-511 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 2398 - grid.cpp:531-536 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 2399 - grid.cpp:598-605 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 2410 - grid.cpp:911-915 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2411 - grid.cpp:911-915 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 2412 - grid.cpp:816-889 - libgromacs_mpi.so.7 [...]+		0	0	0	1		0.00
○Loop 2415 - grid.cpp:823-834 - libgromacs_mpi.so.7		0.01	0.04	0.04	1		0.00
○Loop 2414 - grid.cpp:855-857 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2413 - grid.cpp:855-857 - libgromacs_mpi.so.7		0	0	0	1		0.00
○Loop 2402 - grid.cpp:633-633 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 2400 - grid.cpp:598-605 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 2405 - grid.cpp:504-511 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 2397 - grid.cpp:531-536 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 2401 - grid.cpp:633-633 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○mkl_dft_avx2_ippsDFTInv_CToC_32fc	libmkl_avx2.so.2	0.03	0.09	0.09	1	Math (%): 100.00	36.08
►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	0.03	0.08	0.08	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►Loop 4573 - hashedmap.h:274-281 - libgromacs_mpi.so.7 [...]+		0.02	0.05	0.05	1		0.00
►Loop 4576 - stl_vector.h:951-951 - libgromacs_mpi.so.7 [...]+		0.01	0.02	0.02	1		0.00
○Loop 4577 - hashedmap.h:277-281 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4578 - hashedmap.h:277-281 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4575 - idef.h:245-247 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4574 - idef.h:245-247 - libgromacs_mpi.so.7		0	0.01	0.01	1		0.00
○mkl_dft_avx2_ippsDFTFwd_CToC_32fc	libmkl_avx2.so.2	0.03	0.09	0.09	1	Math (%): 100.00	33.90
►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-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►Loop 4561 - localtopology.cpp:737-787 - libgromacs_mpi.so.7 [...]+		0.02	0.05	0.05	1		0.00
►Loop 4565 - stl_vector.h:296-1646 - libgromacs_mpi.so.7 [...]+		0.01	0.02	0.02	1		0.00
○Loop 4566 - hashedmap.h:277-281 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4564 - stl_algo.h:118-132 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 4562 - ga2la.h:112-114 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4563 - hashedmap.h:277-282 - libgromacs_mpi.so.7		0	0	0	0		0.00
○gmx_fft_1d(gmx_fft, gmx_fft_direction, void, void*)	libgromacs_mpi.so.7	0.03	0.07	0.07	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	34.93	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►unwrap_periodic_pmegrid(gmx_pme_t, float)+	libgromacs_mpi.so.7	0.02	0.05	0.05	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►Loop 16704 - pme_grid.cpp:496-504 - libgromacs_mpi.so.7+		0	0	0	0		0.00
►Loop 16705 - pme_grid.cpp:500-504 - libgromacs_mpi.so.7+		0	0	0	0		0.00
○Loop 16707 - pme_grid.cpp:502-504 - libgromacs_mpi.so.7		0.02	0.05	0.05	1		0.00
○Loop 16706 - pme_grid.cpp:502-504 - libgromacs_mpi.so.7		0	0	0	0		0.00
○mkl_dft_avx2_ippsDFTInv_CCSToR_32f	libmkl_avx2.so.2	0.02	0.07	0.07	1	Math (%): 100.00	21.39
○_IO_vfprintf	libc-2.28.so	0.02	0.05	0.06	1	IO (%): 100.00	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	0.02	0.05	0.06	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►Loop 4646 - hashedmap.h:130-296 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 4648 - stl_vector.h:96-1660 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4666 - partition.cpp:2517-2519 - libgromacs_mpi.so.7 [...]		0.01	0.02	0.02	1		0.00
○Loop 4732 - partition.cpp:447-447 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4655 - stl_algobase.h:322-324 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 4677 - partition.cpp:3219-3233 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4679 - domdec_internal.h:253-255 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4678 - domdec_internal.h:253-255 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4650 - stl_algobase.h:322-324 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4649 - ga2la.h:156-158 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 4684 - partition.cpp:1416-2185 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4683 - partition.cpp:1924-1926 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 4685 - partition.cpp:1416-1422 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4687 - partition.cpp:1418-1422 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4686 - partition.cpp:1418-1422 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4656 - stl_algobase.h:322-324 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4651 - stl_algobase.h:322-324 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 4729 - partition.cpp:1505-1515 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4730 - partition.cpp:1508-1515 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4665 - stl_algobase.h:322-324 - libgromacs_mpi.so.7		0	0.01	0.01	1		0.00
○Loop 4671 - partition.cpp:611-620 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4670 - partition.cpp:611-620 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4733 - partition.cpp:445-447 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4659 - stl_algobase.h:322-324 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4658 - stl_algobase.h:322-324 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 4718 - vector.tcc:608-752 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 4705 - stl_algobase.h:322-548 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4710 - stl_uninitialized.h:82-82 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4708 - stl_uninitialized.h:82-82 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4717 - stl_uninitialized.h:82-82 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4706 - stl_algobase.h:322-324 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4725 - stl_uninitialized.h:82-82 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4709 - stl_uninitialized.h:82-82 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4711 - stl_uninitialized.h:82-82 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4716 - stl_uninitialized.h:82-82 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4721 - stl_uninitialized.h:82-82 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4712 - stl_algobase.h:322-324 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4726 - stl_uninitialized.h:82-82 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4714 - stl_algobase.h:547-548 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4715 - stl_algobase.h:547-548 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4723 - stl_uninitialized.h:82-82 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4707 - stl_algobase.h:322-324 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4724 - stl_uninitialized.h:82-82 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4713 - stl_algobase.h:322-324 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4722 - stl_uninitialized.h:82-82 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4719 - stl_uninitialized.h:82-82 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4720 - new_allocator.h:125-125 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4676 - partition.cpp:3220-3241 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4675 - partition.cpp:551-565 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4663 - partition.cpp:2517-2519 - libgromacs_mpi.so.7 [...]		0	0	0	1		0.00
○Loop 4669 - partition.cpp:447-465 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 4653 - partition.cpp:2536-2536 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4654 - stl_algobase.h:322-324 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4661 - stl_algobase.h:322-324 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4681 - partition.cpp:2213-2217 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4664 - stl_algobase.h:322-324 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4674 - partition.cpp:551-565 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4667 - partition.cpp:2552-2557 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4680 - partition.cpp:3196-3198 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 4644 - partition.cpp:2603-2607 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4645 - stl_algobase.h:322-324 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4652 - partition.cpp:2517-2519 - libgromacs_mpi.so.7 [...]		0	0	0	1		0.00
○Loop 4657 - partition.cpp:2517-2519 - libgromacs_mpi.so.7 [...]		0	0	0	1		0.00
○Loop 4682 - partition.cpp:2202-2204 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4731 - new_allocator.h:125-125 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 4672 - ga2la.h:112-114 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4673 - hashedmap.h:277-282 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 4688 - partition.cpp:1355-2178 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 4689 - partition.cpp:1391-1406 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 4691 - utility.h:89-96 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4690 - utility.h:89-89 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 4692 - partition.cpp:1356-1382 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4698 - partition.cpp:1364-1368 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 4693 - partition.cpp:1371-1382 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4695 - partition.cpp:1380-1382 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4694 - partition.cpp:1380-1382 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4696 - partition.cpp:1375-1377 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4697 - partition.cpp:1375-1377 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4703 - partition.cpp:2091-2095 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4702 - partition.cpp:2091-2095 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 4699 - partition.cpp:2146-2160 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 4701 - utility.h:89-96 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4700 - utility.h:89-89 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 4704 - partition.cpp:1959-2063 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 4727 - partition.cpp:1968-1984 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4728 - partition.cpp:1973-1981 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4668 - partition.cpp:2552-2557 - libgromacs_mpi.so.7 [...]		0	0	0	1		0.00
○Loop 4662 - stl_algobase.h:322-324 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4660 - partition.cpp:2517-2519 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4647 - hashedmap.h:290-293 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4756 - partition.cpp:445-447 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 4763 - utility.h:89-96 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4762 - utility.h:89-89 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4759 - partition.cpp:465-467 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4765 - partition.cpp:927-931 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4758 - partition.cpp:465-467 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 4760 - hashedmap.h:229-255 - libgromacs_mpi.so.7 [...]+		0	0	0	1		0.00
○Loop 4761 - hashedmap.h:232-255 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 4766 - partition.cpp:662-913 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4783 - partition.cpp:871-906 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4782 - partition.cpp:871-906 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4771 - partition.cpp:871-894 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4785 - partition.cpp:871-906 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4767 - partition.cpp:871-874 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4770 - partition.cpp:871-890 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4768 - partition.cpp:871-874 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4776 - partition.cpp:871-906 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4775 - partition.cpp:871-906 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4777 - partition.cpp:871-906 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4778 - partition.cpp:871-899 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4774 - partition.cpp:871-906 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4780 - partition.cpp:871-899 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4772 - partition.cpp:871-890 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4779 - partition.cpp:871-899 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4784 - partition.cpp:871-906 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4773 - partition.cpp:871-894 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4781 - partition.cpp:871-899 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4769 - partition.cpp:871-906 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 4754 - utility.h:89-96 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4753 - utility.h:89-89 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4752 - partition.cpp:722-729 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4734 - partition.cpp:445-447 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 4737 - partition.cpp:171-380 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4751 - partition.cpp:186-198 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 4738 - partition.cpp:174-380 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4746 - partition.cpp:272-295 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4742 - partition.cpp:306-339 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4739 - partition.cpp:371-375 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4747 - partition.cpp:272-295 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4741 - partition.cpp:347-351 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4745 - partition.cpp:272-272 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4748 - partition.cpp:272-295 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4740 - partition.cpp:357-359 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4743 - partition.cpp:306-339 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4744 - partition.cpp:306-339 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 4749 - partition.cpp:174-247 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4750 - partition.cpp:243-247 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4757 - partition.cpp:465-467 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4736 - partition.cpp:421-431 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4755 - partition.cpp:445-447 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4764 - partition.cpp:1178-1182 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4735 - partition.cpp:150-163 - libgromacs_mpi.so.7		0	0	0	0		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.7	0.02	0.06	0.06	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	32.71	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○Loop 16293 - bonded.cpp:2179-2256 - libgromacs_mpi.so.7 [...]		0.02	0.06	0.06	1		32.71
○nral_rt(int)	libgromacs_mpi.so.7	0.02	0.05	0.06	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*) [clone .extracted]+	libgromacs_mpi.so.7	0.02	0.07	0.07	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.09	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►Loop 14823 - mdatoms.cpp:327-497 - libgromacs_mpi.so.7 [...]+		0.02	0.07	0.07	1		0.05
○Loop 14822 - mtop_lookup.h:93-106 - libgromacs_mpi.so.7 [...]		0	0	0	1		0.00
►gmx_fft_many_1d(gmx_fft, gmx_fft_direction, void, void*)+	libgromacs_mpi.so.7	0.02	0.07	0.07	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	18.41	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○Loop 16967 - fft.cpp:115-123 - libgromacs_mpi.so.7		0.02	0.07	0.07	1		17.98
►calc_vir(int, float const () [3], float const () [3], float () [3], bool, float const () [3])+	libgromacs_mpi.so.7	0.02	0.07	0.07	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	14.55	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○Loop 14129 - calcvir.cpp:61-67 - libgromacs_mpi.so.7 [...]		0.02	0.07	0.07	1		14.55
○Loop 14131 - calcvir.cpp:123-123 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 14130 - calcvir.cpp:61-81 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○gmx_fft_1d_real(gmx_fft, gmx_fft_direction, void, void*)	libgromacs_mpi.so.7	0.02	0.05	0.05	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	34.30	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►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-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○Loop 4861 - reversetopology.cpp:140-145 - libgromacs_mpi.so.7		0.01	0.02	0.02	1		0.00
►calcVerletBufferSize(gmx_mtop_t const&, float, t_inputrec const&, int, int, float, VerletbufListSetup const&)+	libgromacs_mpi.so.7	0.02	0.06	0.06	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	3.52	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○Loop 14078 - calc_verletbuf.cpp:826-828 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 14079 - calc_verletbuf.cpp:826-828 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 14074 - calc_verletbuf.cpp:482-1116 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 14075 - calc_verletbuf.cpp:482-721 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 14076 - calc_verletbuf.cpp:482-721 - libgromacs_mpi.so.7 [...]		0.02	0.06	0.06	1		3.52
○Loop 14077 - calc_verletbuf.cpp:850-852 - 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>)+	libgromacs_mpi.so.7	0.02	0.06	0.07	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.18	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○Loop 2421 - grid.cpp:415-420 - libgromacs_mpi.so.7		0.02	0.05	0.05	1		0.13
►Loop 2424 - grid.cpp:329-407 - libgromacs_mpi.so.7 [...]+		0	0.01	0.01	1		0.50
○Loop 2426 - grid.cpp:397-400 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2425 - grid.cpp:385-387 - libgromacs_mpi.so.7 [...]		0	0	0	1		0.00
○Loop 2423 - grid.cpp:426-431 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2420 - grid.cpp:415-420 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2422 - grid.cpp:426-431 - 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 .extracted]+	libgromacs_mpi.so.7	0.01	0.02	0.02	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►Loop 14755 - lincs.cpp:1936-2210 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 14756 - lincs.cpp:1936-2210 - libgromacs_mpi.so.7 [...]+		0	0	0	1		0.00
►Loop 14761 - stl_algo.h:1828-1847 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 14762 - stl_algo.h:1828-1830 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 14759 - stl_algo.h:1825-1866 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 14760 - stl_algo.h:1828-1830 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 14766 - lincs.cpp:1942-1947 - libgromacs_mpi.so.7 [...]		0	0	0	1		0.00
►Loop 14757 - stl_algobase.h:569-570 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 14758 - stl_algo.h:1828-1830 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 14763 - lincs.cpp:1950-1955 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 14764 - lincs.cpp:1950-1955 - libgromacs_mpi.so.7 [...]		0	0	0	1		0.00
○Loop 14765 - lincs.cpp:1942-1947 - libgromacs_mpi.so.7 [...]		0	0	0	1		0.00
○gmx_reverse_top_t::molblockIndices() const	libgromacs_mpi.so.7	0.01	0.01	0.01	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○_IO_fwrite	libc-2.28.so	0.01	0.02	0.02	1	IO (%): 100.00	0.00
►gmx::makeAtomsToConstraintsList(int, gmx::ArrayRef<InteractionList const>, gmx::ArrayRef<t_iparams const>, gmx::FlexibleConstraintTreatment)+	libgromacs_mpi.so.7	0.01	0.02	0.02	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○Loop 14150 - constr.h:220-220 - libgromacs_mpi.so.7 [...]		0.01	0.01	0.01	1		0.00
○Loop 14153 - constr.h:220-220 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 14152 - constr.cpp:892-895 - libgromacs_mpi.so.7		0	0	0	1		0.00
○Loop 14151 - constr.cpp:892-895 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 14148 - constr.cpp:0-0 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 14147 - stl_vector.h:303-303 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 14146 - stl_vector.h:303-303 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 14154 - constr.h:220-220 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 14149 - constr.h:220-220 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►gmx_fft_many_1d_real(gmx_fft, gmx_fft_direction, void, void*)+	libgromacs_mpi.so.7	0.01	0.04	0.04	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	16.69	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○Loop 16968 - fft.cpp:132-140 - libgromacs_mpi.so.7		0.01	0.04	0.04	1		16.63
○_IO_file_xsputn	libc-2.28.so	0.01	0.02	0.02	1	IO (%): 100.00	0.00
►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-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○Loop 4601 - stl_algobase.h:322-324 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4594 - stl_algobase.h:322-324 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4602 - stl_algobase.h:322-324 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4599 - stl_algobase.h:322-324 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4597 - stl_algobase.h:322-324 - libgromacs_mpi.so.7		0	0	0	1		0.00
○Loop 4595 - stl_algobase.h:322-324 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4600 - stl_algobase.h:322-324 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4598 - stl_algobase.h:322-324 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4596 - stl_algobase.h:322-324 - libgromacs_mpi.so.7		0	0	0	0		0.00
►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.7	0.01	0.04	0.04	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	2.53	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○Loop 16296 - bonded.cpp:196-2327 - libgromacs_mpi.so.7 [...]		0.01	0.04	0.04	1		2.41
○__libm_exp_k32	gmx_mpi	0.01	0.02	0.02	1	Exe (%): 100.00	1.88
►setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&) [clone .extracted]+	libgromacs_mpi.so.7	0.01	0.02	0.02	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►Loop 16470 - manage_threading.cpp:336-397 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 16472 - manage_threading.cpp:351-367 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 16474 - manage_threading.cpp:363-367 - libgromacs_mpi.so.7 [...]+		0	0.01	0.01	1		0.00
○Loop 16475 - manage_threading.cpp:365-367 - libgromacs_mpi.so.7 [...]		0.01	0.01	0.01	1		0.00
○Loop 16476 - manage_threading.cpp:365-367 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 16471 - utilities.h:57-57 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 16473 - manage_threading.cpp:351-365 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►sum_forces(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> const>) [clone .extracted]+	libgromacs_mpi.so.7	0.01	0.03	0.03	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	4.75	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○Loop 15062 - sim_util.cpp:149-150 - libgromacs_mpi.so.7 [...]		0.01	0.03	0.03	1		4.75
○_intel_fast_memcpy	gmx_mpi	0.01	0.01	0.01	1	Memory (%): 100.00	0.25
►int make_bondeds_zone<true>(gmx_reverse_top_t const&, gmx::ArrayRef<int const>, gmx_ga2la_t const&, gmx_domdec_zones_t const&, std::vector<gmx_molblock_t, std::allocator<gmx_molblock_t> > const&, bool, int const*, bo...+	libgromacs_mpi.so.7	0.01	0.04	0.04	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►Loop 4557 - localtopology.cpp:103-700 - libgromacs_mpi.so.7 [...]+		0.01	0.03	0.03	1		0.00
○Loop 4558 - stl_algo.h:621-626 - libgromacs_mpi.so.7 [...]		0	0	0	1		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)	libgromacs_mpi.so.7	0.01	0.03	0.03	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	4.21	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►dd_redistribute_cg(_IO_FILE, long, gmx_domdec_t, int, t_state, t_forcerec, t_nrnb, int*) [clone .extracted]+	libgromacs_mpi.so.7	0.01	0.02	0.02	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○Loop 4854 - redistribute.cpp:543-548 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 4848 - redistribute.cpp:74-428 - libgromacs_mpi.so.7 [...]+		0	0	0	1		0.00
►Loop 4850 - vec.h:141-198 - libgromacs_mpi.so.7 [...]+		0.01	0.01	0.01	1		0.00
○Loop 4852 - redistribute.cpp:414-414 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4853 - redistribute.cpp:358-360 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4851 - redistribute.cpp:419-419 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4849 - redistribute.cpp:74-306 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 4855 - redistribute.cpp:74-532 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 4857 - vec.h:141-199 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4860 - redistribute.cpp:481-483 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4858 - redistribute.cpp:521-521 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4859 - redistribute.cpp:517-517 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4856 - redistribute.cpp:74-306 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○std::vector<int, std::allocator<int> >::_M_default_append(unsigned long)	libgromacs_mpi.so.7	0.01	0.02	0.02	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►copy_fftgrid_to_pmegrid(gmx_pme_t, float const, float*, int, int, int)+	libgromacs_mpi.so.7	0.01	0.04	0.04	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.06	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►Loop 16688 - pme_grid.cpp:395-404 - libgromacs_mpi.so.7+		0.01	0.04	0.04	1		0.03
○Loop 16689 - pme_grid.cpp:402-404 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 16691 - pme_grid.cpp:402-404 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 16690 - pme_grid.cpp:402-404 - libgromacs_mpi.so.7		0	0	0	0		0.00
►nbnxn_atomdata_set(nbnxn_atomdata_t*, Nbnxm::GridSet const&, gmx::ArrayRef<int const>, gmx::ArrayRef<float const>, gmx::ArrayRef<long const>)+	libgromacs_mpi.so.7	0.01	0.02	0.02	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►Loop 2308 - atomdata.cpp:125-715 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 2309 - stl_vector.h:826-826 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 2310 - atomdata.cpp:130-132 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2312 - atomdata.cpp:125-127 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2311 - atomdata.cpp:130-132 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2313 - atomdata.cpp:125-127 - libgromacs_mpi.so.7		0	0	0	1		0.00
►Loop 2302 - atomdata.cpp:774-809 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 2303 - atomdata.cpp:801-803 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2301 - atomdata.cpp:774-777 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 2306 - atomdata.cpp:786-788 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2305 - atomdata.cpp:792-794 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2304 - atomdata.cpp:801-803 - libgromacs_mpi.so.7		0	0	0	1		0.00
○Loop 2307 - atomdata.cpp:786-788 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 2288 - atomdata.cpp:871-918 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 2289 - atomdata.cpp:871-918 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 2290 - atomdata.cpp:871-883 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 2297 - atomdata.cpp:832-853 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 2298 - atomdata.cpp:839-853 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 2299 - atomdata.cpp:845-853 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 2300 - atomdata.cpp:845-853 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 2291 - atomdata.cpp:685-738 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 2292 - atomdata.cpp:685-738 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 2296 - atomdata.cpp:685-691 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2294 - atomdata.cpp:685-691 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2293 - atomdata.cpp:685-691 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2295 - atomdata.cpp:685-691 - libgromacs_mpi.so.7		0	0.01	0.01	1		0.00
○dd_check_ftype(int, ReverseTopOptions const&)	libgromacs_mpi.so.7	0.01	0.02	0.02	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►unwrap_periodic_pmegrid(gmx_pme_t, float) [clone .extracted.31]+	libgromacs_mpi.so.7	0.01	0.04	0.04	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►Loop 16727 - pme_grid.cpp:512-522 - libgromacs_mpi.so.7+		0	0	0	0		0.00
►Loop 16728 - pme_grid.cpp:518-522 - libgromacs_mpi.so.7+		0	0	0	0		0.00
○Loop 16730 - pme_grid.cpp:520-522 - libgromacs_mpi.so.7		0.01	0.04	0.04	1		0.00
○Loop 16729 - pme_grid.cpp:520-522 - 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	0.02	0.02	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○Loop 4845 - redistribute.cpp:711-713 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4846 - stl_vector.h:806-827 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 4839 - hashedmap.h:229-255 - libgromacs_mpi.so.7 [...]+		0	0.01	0.01	1		0.00
○Loop 4840 - hashedmap.h:232-255 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4841 - redistribute.cpp:91-100 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 4834 - redistribute.cpp:74-957 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4833 - redistribute.cpp:776-810 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 4836 - stl_vector.h:296-1660 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 4837 - redistribute.cpp:74-898 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4838 - redistribute.cpp:867-869 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4835 - utility.h:89-95 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4847 - stl_vector.h:806-1660 - libgromacs_mpi.so.7 [...]		0	0	0	1		0.00
○Loop 4844 - stl_vector.h:933-951 - libgromacs_mpi.so.7 [...]		0	0	0	1		0.00
○Loop 4842 - redistribute.cpp:91-100 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4843 - redistribute.cpp:91-100 - libgromacs_mpi.so.7 [...]		0	0	0	1		0.00
○mkl_dft_avx2_ownscDftInv_PrimeFact_32fc@plt	libmkl_avx2.so.2	0.01	0.01	0.01	1	Math (%): 100.00	13.38
►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> >*)+	libgromacs_mpi.so.7	0.01	0.04	0.04	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►Loop 4395 - domdec_constraints.cpp:314-375 - libgromacs_mpi.so.7 [...]+		0.01	0.01	0.01	1		0.00
►Loop 4397 - ga2la.h:112-126 - libgromacs_mpi.so.7 [...]+		0.01	0.01	0.01	1		0.00
○Loop 4398 - hashedmap.h:277-282 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4396 - mtop_lookup.h:93-106 - libgromacs_mpi.so.7 [...]		0	0	0	1		0.00
►copy_pmegrid_to_fftgrid(gmx_pme_t const, float const, float*, int)+	libgromacs_mpi.so.7	0.01	0.04	0.04	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
►Loop 16682 - pme_grid.cpp:299-309 - libgromacs_mpi.so.7 [...]+		0.01	0.02	0.02	1		0.00
○Loop 16684 - pme_grid.cpp:301-309 - libgromacs_mpi.so.7 [...]		0.01	0.01	0.01	1		0.00
○Loop 16683 - pme_grid.cpp:301-309 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 16678 - pme_grid.cpp:299-309 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 16680 - pme_grid.cpp:299-309 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 16679 - pme_grid.cpp:303-309 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 16681 - pme_grid.cpp:303-309 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 16685 - pme_grid.cpp:299-309 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 16686 - pme_grid.cpp:301-309 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 16687 - pme_grid.cpp:303-309 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►gmx::InMemoryDeserializer::doFloat(float*)+	libgromacs_mpi.so.7	0.01	0.01	0.01	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○Loop 668 - inmemoryserializer.cpp:92-92 - libgromacs_mpi.so.7 [...]		0	0	0	1		0.00
○hack_digit	libc-2.28.so	0.01	0.01	0.01	1	System (%): 100.00	0.00
►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	0.04	0.04	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	2.56	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre...
○Loop 16349 - bonded.cpp:2960-3032 - libgromacs_mpi.so.7 [...]		0.01	0.04	0.04	1		2.56

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