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	62.35	181.47	181.47	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	64.94	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►Loop 1014 - stl_iterator.h:806-887 - libgromacs_mpi.so.7 [...]+		1.4	4.08	4.08	1		61.99
○Loop 1019 - kernel_outer.h:590-590 - libgromacs_mpi.so.7 [...]		39.69	115.53	115.53	1		66.83
○Loop 1017 - kernel_outer.h:608-608 - libgromacs_mpi.so.7 [...]		16.72	48.66	48.66	1		61.03
○Loop 1020 - kernel_outer.h:584-587 - libgromacs_mpi.so.7 [...]		1.78	5.18	5.18	1		66.24
○Loop 1018 - kernel_outer.h:602-605 - libgromacs_mpi.so.7 [...]		1.61	4.68	4.68	1		63.44
○Loop 1015 - kernel_outer.h:624-624 - libgromacs_mpi.so.7 [...]		1	2.92	2.92	1		60.80
○Loop 1016 - kernel_outer.h:618-621 - libgromacs_mpi.so.7 [...]		0.15	0.43	0.43	1		55.68
►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	9.51	27.69	27.69	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	74.10	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►Loop 1021 - stl_iterator.h:806-887 - libgromacs_mpi.so.7 [...]+		0.24	0.7	0.7	1		64.18
○Loop 1026 - kernel_outer.h:590-590 - libgromacs_mpi.so.7 [...]		6.09	17.74	17.74	1		74.84
○Loop 1024 - kernel_outer.h:608-608 - libgromacs_mpi.so.7 [...]		2.45	7.13	7.13	1		74.12
○Loop 1027 - kernel_outer.h:584-587 - libgromacs_mpi.so.7 [...]		0.3	0.87	0.87	1		74.48
○Loop 1025 - kernel_outer.h:602-605 - libgromacs_mpi.so.7 [...]		0.26	0.75	0.75	1		74.09
○Loop 1022 - kernel_outer.h:624-624 - libgromacs_mpi.so.7 [...]		0.16	0.45	0.45	1		59.12
○Loop 1023 - kernel_outer.h:618-621 - libgromacs_mpi.so.7 [...]		0.02	0.05	0.05	1		76.75
►gather_f_bsplines(gmx_pme_t const, float const, bool, PmeAtomComm const, splinedata_t const, float)+	libgromacs_mpi.so.7	3.3	9.6	9.6	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	27.79	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►Loop 22650 - pme_gather.cpp:76-348 - libgromacs_mpi.so.7 [...]+		1.33	3.88	3.88	1		27.94
○Loop 22649 - pme_gather.cpp:156-169 - libgromacs_mpi.so.7 [...]		1.97	5.72	5.72	1		27.68
►Loop 22652 - pme_gather.cpp:247-255 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 22651 - pme_gather.cpp:253-255 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 22654 - pme_gather.cpp:103-124 - libgromacs_mpi.so.7+		0	0	0	0		0.00
►Loop 22653 - pme_gather.cpp:109-124 - libgromacs_mpi.so.7+		0	0	0	0		0.00
○Loop 22658 - pme_gather.cpp:116-120 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 22656 - pme_gather.cpp:116-120 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 22657 - pme_gather.cpp:116-120 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 22655 - pme_gather.cpp:116-120 - libgromacs_mpi.so.7		0	0	0	0		0.00
►_INTERNALef3c2910::spread_coefficients_bsplines_thread(pmegrid_t const, PmeAtomComm const, splinedata_t, pme_spline_work)+	libgromacs_mpi.so.7	2.53	7.36	7.36	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	9.84	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►Loop 23046 - pme_spread.cpp:331-400 - libgromacs_mpi.so.7 [...]+		2.53	7.36	7.36	1		9.84
►Loop 23048 - pme_spread.cpp:332-400 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 23047 - pme_spread.cpp:332-400 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 23052 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 23050 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 23051 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 23049 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 23045 - pme_simd4.h:138-140 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 23053 - pme_spread.cpp:351-353 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 23054 - pme_spread.cpp:351-353 - libgromacs_mpi.so.7		0	0	0	0		0.00
►_INTERNALef3c2910::make_bsplines(float, float, int, float () [3], int, int const, float const*, bool)+	libgromacs_mpi.so.7	1.58	4.61	4.61	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	10.93	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►Loop 23034 - pme_spread.cpp:275-292 - libgromacs_mpi.so.7 [...]+		1.58	4.61	4.61	1		10.93
○Loop 23033 - pme_spread.cpp:291-291 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 23035 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7+		0	0	0	0		0.00
○Loop 23040 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 23041 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 23036 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 23038 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 23037 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 23042 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7+		0	0	0	0		0.00
○Loop 23043 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 23044 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 23039 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7		0	0	0	0		0.00
►_INTERNAL661916bb::gmx::lincs_matrix_expand(_INTERNAL661916bb::gmx::Lincs const&, _INTERNAL661916bb::gmx::Task const&, _INTERNAL661916bb::gmx::ArrayRef<float const>, _INTERNAL661916bb::gmx::ArrayRef<float>, _INTERNAL661916bb::gmx::Array...+	libgromacs_mpi.so.7	1.49	4.33	4.33	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	2.19	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►Loop 19720 - lincs.cpp:320-340 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 19721 - lincs.cpp:322-340 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 19724 - lincs.cpp:332-336 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 19723 - lincs.cpp:332-336 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 19722 - lincs.cpp:332-336 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 19725 - lincs.cpp:270-287 - libgromacs_mpi.so.7 [...]+		0	0	0	1		0.00
►Loop 19726 - lincs.cpp:276-287 - libgromacs_mpi.so.7+		0.52	1.5	1.5	1		2.20
○Loop 19727 - lincs.cpp:282-284 - libgromacs_mpi.so.7		0.97	2.82	2.82	1		2.19
○Loop 19729 - lincs.cpp:282-284 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 19728 - lincs.cpp:282-284 - 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	1.23	3.59	3.59	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	47.76	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►Loop 1497 - kernel_prune.cpp:76-176 - libgromacs_mpi.so.7 [...]+		0.02	0.05	0.05	1		45.65
○Loop 1498 - kernel_prune.cpp:115-169 - libgromacs_mpi.so.7 [...]		1.21	3.53	3.53	1		47.92
►_INTERNALb629d8fd::makeClusterListSimd4xn(Nbnxm::Grid const&, NbnxnPairlistCpu, int, int, int, bool, float const, float, float, int*)+	libgromacs_mpi.so.7	0.67	1.96	1.96	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	5.42	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 3305 - pairlist_simd_4xm.h:136-195 - libgromacs_mpi.so.7 [...]		0.43	1.25	1.25	1		5.63
○Loop 3304 - pairlist_simd_4xm.h:204-262 - libgromacs_mpi.so.7 [...]		0.14	0.4	0.4	1		4.57
○Loop 3303 - pairlist_simd_4xm.h:268-273 - libgromacs_mpi.so.7 [...]		0.03	0.09	0.09	1		6.14
○fftwf_codelet_n1fv_15_avx	libfftw3f.so.3.5.5	0.67	1.95	1.95	1	Math (%): 100.00	6.69
○_INTERNAL72b35b0f::(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...	libgromacs_mpi.so.7	0.6	1.73	1.73	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	14.41	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►void _INTERNALb629d8fd::nbnxn_make_pairlist_part<NbnxnPairlistCpu>(Nbnxm::GridSet const&, Nbnxm::Grid const&, Nbnxm::Grid const&, PairsearchWork, nbnxn_atomdata_t const, gmx::ListOfLists<int> const&, float, PairlistType, int, ...+	libgromacs_mpi.so.7	0.6	1.75	1.75	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	5.37	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 3286 - pairlist.cpp:2891-2893 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 3285 - pairlist.cpp:1954-3518 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 3274 - pairlist.cpp:1954-3514 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 3273 - pairlist.cpp:1954-3512 - libgromacs_mpi.so.7 [...]+		0	0	0	1		0.00
►Loop 3275 - pairlist.cpp:1954-3507 - libgromacs_mpi.so.7 [...]+		0.01	0.02	0.02	1		5.81
○Loop 3276 - pairlist.cpp:3181-3267 - libgromacs_mpi.so.7 [...]		0.01	0.02	0.02	1		4.75
►Loop 3277 - new_allocator.h:101-136 - libgromacs_mpi.so.7 [...]+		0	0	0	1		0.00
►Loop 3278 - pairlist.cpp:1954-3507 - libgromacs_mpi.so.7 [...]+		0.01	0.01	0.01	1		21.13
►Loop 3279 - pairlist.cpp:2966-3474 - libgromacs_mpi.so.7 [...]+		0.03	0.07	0.07	1		3.73
►Loop 3280 - pairlist.cpp:2966-3474 - libgromacs_mpi.so.7 [...]+		0.2	0.58	0.58	1		5.42
○Loop 3281 - pairlist.cpp:3407-3411 - libgromacs_mpi.so.7		0.29	0.85	0.85	1		5.62
○Loop 3282 - pairlist.cpp:3392-3396 - libgromacs_mpi.so.7		0.06	0.18	0.18	1		4.21
○Loop 3284 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 3283 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...]		0	0	0	1		0.00
○Loop 3272 - pairlist.cpp:258-3133 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 3287 - pairlist.cpp:2891-2893 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 3271 - pairlist.cpp:3053-3053 - libgromacs_mpi.so.7		0	0	0	0		0.00
○fftwf_codelet_hc2cfdftv_6_sse2	libfftw3f.so.3.5.5	0.59	1.72	1.72	1	Math (%): 100.00	7.52
►void _INTERNAL251c4d10::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	0.58	1.67	1.67	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	6.43	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 22435 - pairs.cpp:863-894 - libgromacs_mpi.so.7 [...]		0.57	1.67	1.67	1		6.42
►solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)+	libgromacs_mpi.so.7	0.58	1.67	1.67	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	29.38	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►Loop 22904 - pme_solve.cpp:98-561 - libgromacs_mpi.so.7 [...]+		0.08	0.23	0.23	1		30.05
○Loop 22910 - pme_solve.cpp:234-238 - libgromacs_mpi.so.7 [...]		0.1	0.3	0.3	1		40.94
○Loop 22906 - pme_solve.cpp:555-561 - libgromacs_mpi.so.7		0.09	0.26	0.26	1		42.43
○Loop 22932 - pme_solve.cpp:457-470 - libgromacs_mpi.so.7		0.08	0.23	0.23	1		25.97
○Loop 22912 - pme_solve.cpp:534-543 - libgromacs_mpi.so.7		0.06	0.18	0.18	1		26.06
○Loop 22916 - pme_solve.cpp:522-531 - libgromacs_mpi.so.7		0.06	0.16	0.16	1		17.50
○Loop 22933 - pme_solve.cpp:441-454 - libgromacs_mpi.so.7		0.04	0.12	0.12	1		19.15
○Loop 22920 - pme_solve.cpp:499-511 - libgromacs_mpi.so.7		0.03	0.09	0.09	1		10.42
○Loop 22926 - pme_solve.cpp:234-238 - libgromacs_mpi.so.7 [...]		0.01	0.04	0.04	1		30.81
○Loop 22923 - pme_solve.cpp:486-496 - libgromacs_mpi.so.7		0.01	0.03	0.03	1		15.04
○Loop 22927 - pme_solve.cpp:473-475 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 22917 - pme_solve.cpp:522-531 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 22911 - pme_solve.cpp:534-543 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 22907 - pme_solve.cpp:555-561 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 22918 - pme_solve.cpp:522-531 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 22909 - pme_solve.cpp:555-561 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 22929 - pme_solve.cpp:473-475 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 22914 - pme_solve.cpp:534-543 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 22922 - pme_solve.cpp:486-496 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 22905 - pme_solve.cpp:555-561 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 22921 - pme_solve.cpp:499-511 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 22915 - pme_solve.cpp:522-531 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 22931 - pme_solve.cpp:473-475 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 22930 - pme_solve.cpp:473-475 - libgromacs_mpi.so.7		0	0	0	1		0.00
○Loop 22928 - pme_solve.cpp:473-475 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 22913 - pme_solve.cpp:534-543 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 22908 - pme_solve.cpp:555-561 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 22925 - pme_solve.cpp:486-496 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 22919 - pme_solve.cpp:499-511 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 22924 - pme_solve.cpp:486-496 - libgromacs_mpi.so.7		0	0	0	0		0.00
○fftwf_codelet_hc2cbdftv_2_sse2	libfftw3f.so.3.5.5	0.58	1.69	1.69	1	Math (%): 100.00	7.52
○fftwf_cpy2d	libfftw3f.so.3.5.5	0.5	1.45	1.45	1	Math (%): 100.00	7.49
►_INTERNALef3c2910::calc_interpolation_idx(gmx_pme_t const, PmeAtomComm, int, int, int, int)+	libgromacs_mpi.so.7	0.49	1.44	1.44	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	6.48	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 23013 - pme_spread.cpp:104-133 - libgromacs_mpi.so.7 [...]		0.49	1.44	1.44	1		6.48
○Loop 23014 - pme_spread.cpp:96-98 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 23005 - pme_spread.cpp:172-174 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 23012 - pme_spread.cpp:154-156 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 23008 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 23006 - pme_spread.cpp:165-167 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 23004 - pme_spread.cpp:104-145 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 23011 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 23010 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 23007 - vector.tcc:589-589 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 23009 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNAL72b35b0f::(anonymous namespace)::angles<(BondedKernelFlavor)0>(int, int const, t_iparams const, float const () [3], float () [4], float (*) [3], t_pbc co...+	libgromacs_mpi.so.7	0.49	1.43	1.43	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	14.96	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 22146 - bonded.cpp:1151-1255 - libgromacs_mpi.so.7 [...]		0.49	1.43	1.43	1		14.96
►void _INTERNALa35aedc8::gmx::settleTemplate<_INTERNALa35aedc8::gmx::SimdFloat, _INTERNALa35aedc8::gmx::SimdFBool, 8, float const, true, false>(_INTERNALa35aedc8::gmx::SettleData const&, int, int, float const, float const, float, float, float*...+	libgromacs_mpi.so.7	0.47	1.38	1.38	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	12.47	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 20236 - settle.cpp:423-649 - libgromacs_mpi.so.7 [...]		0.47	1.38	1.38	1		12.47
○fftwf_codelet_n1fv_11_avx	libfftw3f.so.3.5.5	0.46	1.35	1.35	1	Math (%): 100.00	12.36
►_INTERNAL661916bb::gmx::lincs_update_atoms_noind(int, _INTERNAL661916bb::gmx::ArrayRef<_INTERNAL661916bb::gmx::AtomPair const>, float, _INTERNAL661916bb::gmx::ArrayRef<float const>, _INTERNAL661916bb::gmx::ArrayRef<_INTERNAL661916bb::gmx::Ba...+	libgromacs_mpi.so.7	0.45	1.31	1.31	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	5.58	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 19732 - lincs.cpp:368-383 - libgromacs_mpi.so.7		0.45	1.31	1.31	1		5.58
○Loop 19731 - lincs.cpp:388-401 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○fftwf_codelet_n1bv_16_sse2	libfftw3f.so.3.5.5	0.44	1.29	1.29	1	Math (%): 100.00	9.45
►__intel_avx_rep_memcpy+	gmx_mpi	0.44	1.28	1.28	1	Memory (%): 100.00	0.00
○Loop 73 - - gmx_mpi		0.23	0.67	0.67	1		0.00
○Loop 72 - - gmx_mpi		0	0	0	0		0.00
○fftwf_codelet_t2fv_4_avx	libfftw3f.so.3.5.5	0.42	1.22	1.22	1	Math (%): 100.00	13.01
○void _INTERNALa35aedc8::gmx::__regcall3__gatherLoadUTranspose<3>(float const, int const, _INTERNALa35aedc8::gmx::SimdFloat, _INTERNALa35aedc8::gmx::SimdFloat, _INTERNALa35aedc8::gmx::SimdFloat*)	libgromacs_mpi.so.7	0.41	1.18	1.18	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	14.72	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○fftwf_codelet_t2bv_4_avx	libfftw3f.so.3.5.5	0.41	1.2	1.2	1	Math (%): 100.00	11.23
○fftwf_codelet_n2fv_10_avx	libfftw3f.so.3.5.5	0.4	1.15	1.15	1	Math (%): 100.00	12.58
○fftwf_codelet_n1bv_11_avx	libfftw3f.so.3.5.5	0.4	1.17	1.17	1	Math (%): 100.00	8.51
►std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNAL72b35b0f::(anonymous namespace)::pdihs<(BondedKernelFlavor)0>(int, int const, t_iparams const, float const () [3], float () [4], float (*) [3], t_pbc con...+	libgromacs_mpi.so.7	0.35	1.01	1.01	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	20.38	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 22155 - bonded.cpp:2059-2126 - libgromacs_mpi.so.7 [...]		0.35	1.01	1.01	1		20.37
►_INTERNAL661916bb::gmx::__regcall3__calc_dr_x_xp_simd(int, int, _INTERNAL661916bb::gmx::ArrayRef<_INTERNAL661916bb::gmx::AtomPair const>, float const () [3], float const () [3], float const, float const, float const, float () [3], float*, floa...+	libgromacs_mpi.so.7	0.34	0.98	0.98	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	8.18	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 19735 - lincs.cpp:798-828 - libgromacs_mpi.so.7 [...]		0.34	0.98	0.98	1		8.18
○_INTERNAL7abe0478::gmx::SimdFloat _INTERNAL7abe0478::gmx::__regcall3__exp<(MathOptimization)0>(_INTERNAL7abe0478::gmx::SimdFloat)	libgromacs_mpi.so.7	0.34	0.98	0.98	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	43.55	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►pbc_dx_aiuc(t_pbc const, float const, float const, float)+	libgromacs_mpi.so.7	0.32	0.92	0.92	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	2.60	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 6252 - pbc.cpp:989-1006 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 6251 - pbc.cpp:899-909 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►std::enable_if<std::is_same<float [3], float [3]>::value\|\|std::is_same<float [3], float const [3]>::value, void>::type _INTERNALf921b9f2::updateMDLeapfrogSimpleSimd<(StoreUpdatedVelocities)0, float [3]>(int, int, float, gmx::ArrayRe...+	libgromacs_mpi.so.7	0.31	0.9	0.9	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	8.49	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 20503 - update.cpp:481-481 - libgromacs_mpi.so.7 [...]		0.31	0.9	0.9	1		8.48
►_INTERNAL661916bb::gmx::do_lincs(_INTERNAL661916bb::gmx::ArrayRefWithPadding<_INTERNAL661916bb::gmx::BasicVector<float> const>, _INTERNAL661916bb::gmx::ArrayRefWithPadding<_INTERNAL661916bb::gmx::BasicVector<float> >, float const (*...+	libgromacs_mpi.so.7	0.3	0.87	0.87	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	4.47	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►Loop 19718 - lincs.cpp:1085-1089 - libgromacs_mpi.so.7 [...]+		0.08	0.22	0.22	1		4.23
○Loop 19719 - lincs.cpp:1087-1089 - libgromacs_mpi.so.7 [...]		0.18	0.51	0.51	1		4.08
○Loop 19717 - lincs.cpp:1098-1098 - libgromacs_mpi.so.7 [...]		0.01	0.04	0.04	1		2.06
○Loop 19710 - lincs.cpp:1215-1223 - libgromacs_mpi.so.7 [...]		0.01	0.03	0.03	1		11.29
○Loop 19713 - lincs.cpp:1202-1207 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 19711 - lincs.cpp:1202-1207 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 19715 - lincs.cpp:1123-1173 - libgromacs_mpi.so.7 [...]+		0	0	0	1		0.00
○Loop 19716 - lincs.cpp:1155-1155 - libgromacs_mpi.so.7 [...]		0.02	0.05	0.05	1		8.48
○Loop 19712 - lincs.cpp:1202-1207 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 19714 - lincs.cpp:1193-1195 - libgromacs_mpi.so.7 [...]		0	0	0	1		0.00
○_INTERNAL72b35b0f::(anonymous namespace)::__regcall3__do_dih_fup_noshiftf_simd(int const, int const, int const, int const, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, f...	libgromacs_mpi.so.7	0.3	0.87	0.87	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	24.19	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►__intel_avx_rep_memset+	gmx_mpi	0.25	0.72	0.72	1	Memory (%): 100.00	0.02
○Loop 74 - - gmx_mpi		0	0	0	0		0.00
○fftwf_codelet_n2bv_10_avx	libfftw3f.so.3.5.5	0.24	0.71	0.71	1	Math (%): 100.00	18.52
►float _INTERNAL251c4d10::do_pairs_general<(BondedKernelFlavor)2>(int, int, int const, t_iparams const, float const () [3], float () [4], float () [3], t_pbc const, float const, float, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gm...+	libgromacs_mpi.so.7	0.22	0.64	0.64	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	2.73	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 22430 - pairs.cpp:125-824 - libgromacs_mpi.so.7 [...]		0.22	0.64	0.64	1		2.73
►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))\|\|(!(1)), float>::type _INTERNAL72b35b0f::(anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const, t_iparams const, float const () [3], float () [4], float (*) [3],...+	libgromacs_mpi.so.7	0.21	0.6	0.6	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	2.31	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►Loop 22218 - bonded.cpp:129-2011 - libgromacs_mpi.so.7 [...]+		0.19	0.56	0.56	1		2.37
○Loop 22219 - bonded.cpp:1914-2008 - libgromacs_mpi.so.7 [...]		0.01	0.04	0.04	1		1.56
►_INTERNAL95fec573::nbnxn_atomdata_add_nbat_f_to_f_part(Nbnxm::GridSet const&, nbnxn_atomdata_t const&, nbnxn_atomdata_output_t const&, int, int, float (*) [3])+	libgromacs_mpi.so.7	0.17	0.5	0.5	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	1.76	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 2245 - atomdata.cpp:1173-1179 - libgromacs_mpi.so.7 [...]		0.17	0.5	0.5	1		1.76
○Loop 2246 - atomdata.cpp:1163-1169 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 2243 - atomdata.cpp:1182-1182 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2244 - atomdata.cpp:1153-1159 - libgromacs_mpi.so.7		0	0	0	0		0.00
►copy_rvec_to_nbat_real(int const, int, int, float const () [3], int, float*, int)+	libgromacs_mpi.so.7	0.17	0.5	0.5	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 2237 - atomdata.cpp:226-236 - libgromacs_mpi.so.7		0.16	0.46	0.46	1		0.00
○Loop 2236 - atomdata.cpp:226-236 - libgromacs_mpi.so.7		0.01	0.03	0.03	1		0.00
○Loop 2233 - atomdata.cpp:172-176 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2231 - atomdata.cpp:180-184 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2234 - atomdata.cpp:172-182 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 2232 - atomdata.cpp:180-184 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2238 - atomdata.cpp:207-217 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2240 - atomdata.cpp:193-203 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2228 - atomdata.cpp:154-158 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2227 - atomdata.cpp:161-165 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2226 - atomdata.cpp:161-163 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2229 - atomdata.cpp:154-163 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2225 - atomdata.cpp:161-165 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2239 - atomdata.cpp:193-203 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2230 - atomdata.cpp:180-184 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2224 - atomdata.cpp:256-256 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2235 - atomdata.cpp:240-250 - libgromacs_mpi.so.7		0	0	0	0		0.00
○dih_angle(float const, float const, float const, float const, t_pbc const, float, float, float, float, float, int, int, int*)	libgromacs_mpi.so.7	0.16	0.45	0.45	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	2.84	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►_INTERNALcfff3329::energyDrift(gmx::ArrayRef<VerletbufAtomtype const>, gmx_ffparams_t const, float, pot_derivatives_t const, pot_derivatives_t const, pot_derivatives_t const, float, float, float, float)+	libgromacs_mpi.so.7	0.16	0.46	0.46	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	3.08	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►Loop 18871 - calc_verletbuf.cpp:530-721 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 18872 - calc_verletbuf.cpp:530-721 - libgromacs_mpi.so.7 [...]		0.16	0.46	0.46	1		3.08
►clearForceBuffer(nbnxn_atomdata_t*, int)+	libgromacs_mpi.so.7	0.14	0.4	0.4	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 2753 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7 [...]		0.14	0.4	0.4	1		0.00
○fftwf_mkplan_hc2c	libfftw3f.so.3.5.5	0.13	0.38	0.38	1	Math (%): 100.00	8.39
○__libm_atan2f_l9	libgromacs_mpi.so.7	0.12	0.35	0.35	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	2.48
►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))\|\|(!(1)), float>::type _INTERNAL72b35b0f::(anonymous namespace)::angles<(BondedKernelFlavor)2>(int, int const, t_iparams const, float const () [3], float () [4], float (*) [3]...+	libgromacs_mpi.so.7	0.12	0.33	0.33	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	3.14	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 22209 - bonded.cpp:445-1084 - libgromacs_mpi.so.7 [...]		0.12	0.33	0.33	1		3.14
►L__ZN17_INTERNALd56b7fc33gmx12_GLOBAL__N_124reduceThreadForceBuffersIA4_fEEvNS0_8ArrayRefINS0_11BasicVectorIfEEEENS4_ISt10unique_ptrINS0_17ThreadForceBufferIT_EESt14default_deleteISB_EEEENS4_IKSt5arrayImLm2EEEENS4_IKiEE_170__par_region0_2_134+	libgromacs_mpi.so.7	0.11	0.31	0.31	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	1.52	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►Loop 5821 - threaded_force_buffer.cpp:171-211 - libgromacs_mpi.so.7 [...]+		0	0.01	0.01	1		1.75
○Loop 5823 - threaded_force_buffer.cpp:200-200 - libgromacs_mpi.so.7 [...]		0.1	0.28	0.28	1		1.48
○Loop 5822 - threaded_force_buffer.cpp:182-187 - libgromacs_mpi.so.7 [...]		0.01	0.02	0.02	1		1.94
►Loop 5824 - threaded_force_buffer.cpp:207-211 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 5825 - threaded_force_buffer.cpp:209-211 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►_INTERNAL14e05f89::setupForceOutputs(ForceHelperBuffers, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::DomainLifetimeWorkload const&, gmx::StepWorkload const&, bool, gmx_wallcycle)+	libgromacs_mpi.so.7	0.11	0.32	0.32	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 20300 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7 [...]		0.09	0.25	0.25	1		0.00
○Loop 20298 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7 [...]		0.02	0.06	0.06	1		0.00
○Loop 20299 - iterator_interface.hpp:166-459 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►_INTERNAL661916bb::gmx::__regcall3__calc_dist_iter_simd(int, int, _INTERNAL661916bb::gmx::ArrayRef<_INTERNAL661916bb::gmx::AtomPair const>, float const () [3], float const, float const, float const, float, float, float, bool*)+	libgromacs_mpi.so.7	0.1	0.3	0.3	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	16.32	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 19730 - lincs.cpp:919-931 - libgromacs_mpi.so.7 [...]		0.1	0.3	0.3	1		16.32
►L__ZN17_INTERNAL7742301e19calc_ke_part_normalEN3gmx8ArrayRefIKNS0_11BasicVectorIfEEEEPK9t_grpoptsPK9t_mdatomsP14gmx_ekindata_tP6t_nrnbb_113__par_region0_2_15+	libgromacs_mpi.so.7	0.1	0.29	0.29	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	8.97	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►Loop 19830 - md_support.cpp:114-157 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 19831 - md_support.cpp:139-157 - libgromacs_mpi.so.7 [...]		0.1	0.29	0.29	1		8.97
○Loop 19832 - md_support.cpp:132-132 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○__libm_sse2_sincosf	libgromacs_mpi.so.7	0.08	0.23	0.23	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	2.99
○__memcpy_avx_unaligned_erms	libc-2.28.so	0.08	0.22	0.22	1	Memory (%): 100.00	20.69
○bond_angle(float const, float const, float const, t_pbc const, float, float, float, int, int*)	libgromacs_mpi.so.7	0.08	0.23	0.23	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	2.85	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○void _INTERNAL72b35b0f::gmx::__regcall3__transposeScatterIncrU<4>(float, int const, _INTERNAL72b35b0f::gmx::SimdFloat, _INTERNAL72b35b0f::gmx::SimdFloat, _INTERNAL72b35b0f::gmx::SimdFloat)	libgromacs_mpi.so.7	0.08	0.23	0.23	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	17.72	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►_INTERNALb629d8fd::setExclusionsForIEntry(Nbnxm::GridSet const&, NbnxnPairlistCpu*, bool, int, nbnxn_ci_t const&, gmx::ListOfLists<int> const&)+	libgromacs_mpi.so.7	0.08	0.24	0.24	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	8.45	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►Loop 3314 - pairlist.cpp:607-1420 - libgromacs_mpi.so.7 [...]+		0.01	0.03	0.03	1		11.67
►Loop 3315 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7 [...]+		0.04	0.12	0.12	1		8.59
○Loop 3316 - pairlist.cpp:607-1332 - libgromacs_mpi.so.7 [...]		0.02	0.06	0.06	1		8.42
○Loop 3317 - pairlist.cpp:1252-1255 - libgromacs_mpi.so.7		0	0	0	1		0.00
►L__ZN3gmx6Update4Impl13finish_updateERK10t_inputrecbiNS_8ArrayRefIKtEEP7t_stateP13gmx_wallcycleb_1637__par_region0_2_160+	libgromacs_mpi.so.7	0.07	0.19	0.19	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 20506 - update.cpp:1637-1641 - libgromacs_mpi.so.7 [...]		0.07	0.19	0.19	1		0.00
○fftwf_rdft2_buffered_register	libfftw3f.so.3.5.5	0.07	0.21	0.21	1	Math (%): 100.00	6.57
►_INTERNALb629d8fd::closeIEntry(NbnxnPairlistCpu*, int, bool, float, int, int)+	libgromacs_mpi.so.7	0.07	0.19	0.19	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	7.51	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 3294 - pairlist.cpp:1981-1985 - libgromacs_mpi.so.7		0.02	0.05	0.05	1		9.05
○Loop 3293 - pairlist.cpp:1991-1995 - libgromacs_mpi.so.7		0.02	0.05	0.05	1		6.93
○Loop 3291 - pairlist.cpp:1998-2000 - libgromacs_mpi.so.7		0.01	0.03	0.03	1		6.00
○Loop 3295 - vector.tcc:589-589 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 3296 - stl_algobase.h:740-742 - libgromacs_mpi.so.7		0	0	0	1		0.00
○Loop 3297 - stl_algobase.h:740-742 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 3292 - pairlist.cpp:1998-2000 - libgromacs_mpi.so.7		0	0	0	0		0.00
○fftwf_codelet_r2cf_7	libfftw3f.so.3.5.5	0.07	0.21	0.21	1	Math (%): 100.00	7.60
○__libm_acosf_l9	libgromacs_mpi.so.7	0.07	0.19	0.19	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	2.63
►int _INTERNALd64f4cfb::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...+	libgromacs_mpi.so.7	0.07	0.19	0.19	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►Loop 4523 - localtopology.cpp:416-576 - libgromacs_mpi.so.7 [...]+		0.04	0.1	0.1	1		0.00
○Loop 4526 - stl_algobase.h:752-754 - libgromacs_mpi.so.7		0.01	0.01	0.01	1		0.00
►Loop 4530 - localtopology.cpp:505-513 - libgromacs_mpi.so.7 [...]+		0.01	0.03	0.03	1		0.00
○Loop 4531 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4525 - vector.tcc:589-589 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4532 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4528 - stl_algobase.h:752-754 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4529 - stl_algobase.h:752-754 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4527 - stl_algobase.h:752-754 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4524 - idef.h:245-247 - libgromacs_mpi.so.7 [...]		0	0.01	0.01	1		0.00
○__libm_exp_l9	libgromacs_mpi.so.7	0.07	0.21	0.21	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	1.95
►gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()+	libgromacs_mpi.so.7	0.06	0.18	0.18	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 5941 - stl_algobase.h:695-696 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 5945 - threaded_force_buffer.cpp:78-80 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 5944 - stl_algobase.h:695-695 - libgromacs_mpi.so.7		0.06	0.17	0.17	1		0.00
○Loop 5938 - threaded_force_buffer.cpp:97-97 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 5937 - threaded_force_buffer.cpp:90-94 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 5940 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 5942 - stl_algobase.h:695-696 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 5943 - stl_algobase.h:684-685 - libgromacs_mpi.so.7		0	0	0	1		0.00
○Loop 5939 - threaded_force_buffer.cpp:97-97 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○fftwf_mkplan_dftw	libfftw3f.so.3.5.5	0.06	0.16	0.16	1	Math (%): 100.00	10.38
►wrap_periodic_pmegrid(gmx_pme_t const, float)+	libgromacs_mpi.so.7	0.06	0.17	0.17	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	1.24	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►Loop 22687 - pme_grid.cpp:465-471 - libgromacs_mpi.so.7+		0	0	0	0		0.00
►Loop 22688 - pme_grid.cpp:467-471 - libgromacs_mpi.so.7+		0	0	0	0		0.00
►Loop 22690 - pme_grid.cpp:467-471 - libgromacs_mpi.so.7+		0	0	0	1		0.00
○Loop 22693 - pme_grid.cpp:469-471 - libgromacs_mpi.so.7		0.01	0.02	0.02	1		2.75
○Loop 22691 - pme_grid.cpp:469-471 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 22694 - pme_grid.cpp:469-471 - libgromacs_mpi.so.7		0	0	0	1		0.00
○Loop 22692 - pme_grid.cpp:469-471 - libgromacs_mpi.so.7		0	0	0	1		0.00
○Loop 22689 - pme_grid.cpp:469-471 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 22696 - pme_grid.cpp:449-455 - libgromacs_mpi.so.7+		0	0	0	0		0.00
►Loop 22697 - pme_grid.cpp:451-455 - libgromacs_mpi.so.7+		0	0	0	0		0.00
►Loop 22699 - pme_grid.cpp:451-455 - libgromacs_mpi.so.7+		0	0	0	1		0.00
○Loop 22702 - pme_grid.cpp:453-455 - libgromacs_mpi.so.7		0.01	0.02	0.02	1		3.00
○Loop 22700 - pme_grid.cpp:453-455 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 22703 - pme_grid.cpp:453-455 - libgromacs_mpi.so.7		0	0	0	1		0.00
○Loop 22701 - pme_grid.cpp:453-455 - libgromacs_mpi.so.7		0	0	0	1		0.00
○Loop 22698 - pme_grid.cpp:453-455 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 22695 - pme_grid.cpp:436-442 - libgromacs_mpi.so.7+		0	0	0	0		0.00
►Loop 22704 - pme_grid.cpp:438-442 - libgromacs_mpi.so.7+		0.01	0.04	0.04	1		0.53
○Loop 22705 - pme_grid.cpp:440-442 - libgromacs_mpi.so.7		0.03	0.07	0.07	1		0.66
►Loop 22706 - pme_grid.cpp:438-442 - libgromacs_mpi.so.7+		0	0	0	1		0.00
○Loop 22708 - pme_grid.cpp:440-442 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 22710 - pme_grid.cpp:440-442 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 22707 - pme_grid.cpp:440-442 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 22709 - pme_grid.cpp:440-442 - libgromacs_mpi.so.7		0	0	0	0		0.00
○fftwf_codelet_r2cb_3	libfftw3f.so.3.5.5	0.06	0.18	0.18	1	Math (%): 100.00	8.51
○fftwf_codelet_r2cfII_7	libfftw3f.so.3.5.5	0.06	0.17	0.17	1	Math (%): 100.00	6.93
►void _INTERNALa35aedc8::gmx::settleTemplate<_INTERNALa35aedc8::gmx::SimdFloat, _INTERNALa35aedc8::gmx::SimdFBool, 8, float const, true, true>(_INTERNALa35aedc8::gmx::SettleData const&, int, int, float const, float const, float, float, float*,...+	libgromacs_mpi.so.7	0.05	0.16	0.16	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	17.67	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 20235 - settle.cpp:423-674 - libgromacs_mpi.so.7 [...]		0.05	0.16	0.16	1		17.67
○__libm_erfcf_ex	libgromacs_mpi.so.7	0.05	0.15	0.15	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	4.38
○_INTERNALa35aedc8::__regcall3__pbc_dx_aiuc(float const, gmx::SimdFloat const, gmx::SimdFloat const, gmx::SimdFloat)	libgromacs_mpi.so.7	0.05	0.15	0.15	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	16.09	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○void _INTERNAL72b35b0f::gmx::__regcall3__transposeScatterDecrU<4>(float, int const, _INTERNAL72b35b0f::gmx::SimdFloat, _INTERNAL72b35b0f::gmx::SimdFloat, _INTERNAL72b35b0f::gmx::SimdFloat)	libgromacs_mpi.so.7	0.05	0.14	0.14	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	14.58	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○__libm_expf_l9	libgromacs_mpi.so.7	0.04	0.11	0.12	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	3.04
○fftwf_codelet_r2cbIII_3	libfftw3f.so.3.5.5	0.04	0.12	0.12	1	Math (%): 100.00	4.57
►calc_vir(int, float const () [3], float const () [3], float () [3], bool, float const () [3])+	libgromacs_mpi.so.7	0.04	0.1	0.1	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	10.20	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 18945 - calcvir.cpp:61-81 - libgromacs_mpi.so.7 [...]		0.04	0.1	0.1	1		10.20
○Loop 18944 - calcvir.cpp:123-123 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○fftwf_dft_conf_standard	libfftw3f.so.3.5.5	0.04	0.11	0.11	1	Math (%): 100.00	8.76
►_INTERNALf921b9f2::do_update_md(int, int, float, long, float const () [3], float () [3], float () [3], float const () [3], TemperatureCoupling, PressureCoupling, int, int, gmx::ArrayRef<unsigned short const>, bool, gmx::ArrayRef<unsigned short...+	libgromacs_mpi.so.7	0.04	0.12	0.12	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	7.09	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 20455 - update.cpp:361-387 - libgromacs_mpi.so.7 [...]		0.04	0.12	0.12	1		7.09
○Loop 20457 - update.cpp:361-387 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 20456 - update.cpp:361-387 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 20458 - update.cpp:361-387 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○fftwf_ct_genericbuf_register	libfftw3f.so.3.5.5	0.04	0.13	0.13	1	Math (%): 100.00	10.64
►unwrap_periodic_pmegrid(gmx_pme_t, float)+	libgromacs_mpi.so.7	0.03	0.1	0.1	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►Loop 22719 - pme_grid.cpp:496-504 - libgromacs_mpi.so.7+		0	0	0	0		0.00
►Loop 22720 - pme_grid.cpp:496-504 - libgromacs_mpi.so.7+		0	0	0	0		0.00
○Loop 22721 - pme_grid.cpp:502-504 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 22722 - pme_grid.cpp:500-504 - libgromacs_mpi.so.7		0	0	0	1		0.00
►Loop 22711 - pme_grid.cpp:512-539 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 22712 - pme_grid.cpp:518-539 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 22714 - pme_grid.cpp:518-522 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 22713 - pme_grid.cpp:520-522 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 22715 - pme_grid.cpp:496-539 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 22716 - pme_grid.cpp:496-539 - libgromacs_mpi.so.7 [...]+		0.03	0.08	0.08	1		0.00
○Loop 22717 - pme_grid.cpp:537-539 - libgromacs_mpi.so.7		0.01	0.01	0.01	1		0.00
○Loop 22718 - pme_grid.cpp:535-539 - libgromacs_mpi.so.7		0	0	0	0		0.00
►atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*)+	libgromacs_mpi.so.7	0.03	0.09	0.09	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►Loop 19840 - mdatoms.cpp:328-497 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 19839 - mdatoms.cpp:328-497 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 19838 - mdatoms.cpp:328-497 - libgromacs_mpi.so.7 [...]+		0.03	0.09	0.09	1		0.00
○Loop 19841 - stl_vector.h:951-951 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○__GI___printf_fp_l	libc-2.28.so	0.03	0.1	0.1	1	IO (%): 100.00	0.00
►void _INTERNALd64f4cfb::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> &g...+	libgromacs_mpi.so.7	0.03	0.1	0.1	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►Loop 4498 - new_allocator.h:101-136 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 4496 - new_allocator.h:101-136 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 4495 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7 [...]+		0.02	0.05	0.05	1		0.00
○Loop 4497 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 4499 - new_allocator.h:101-136 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 4489 - stl_vector.h:296-1660 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4490 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4491 - stl_vector.h:951-951 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 4492 - iterator_interface.hpp:166-459 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 4493 - localtopology.cpp:731-787 - libgromacs_mpi.so.7 [...]+		0.02	0.05	0.05	1		0.00
○Loop 4494 - stl_algo.h:118-118 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Unknown function	libgromacs_mpi.so.7	0.03	0.08	0.08	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	2.16
►_INTERNALcd96ede4::atoms_to_settles(gmx_domdec_t, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::ArrayRef<std::vector<int, std::allocator<int> > const>, int, int, InteractionList, std::vector<int, std::allocator<int&...+	libgromacs_mpi.so.7	0.03	0.08	0.08	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►Loop 4263 - domdec_constraints.cpp:234-282 - libgromacs_mpi.so.7 [...]+		0.01	0.02	0.02	1		0.00
►Loop 4268 - new_allocator.h:101-130 - libgromacs_mpi.so.7 [...]+		0.01	0.01	0.01	1		0.00
○Loop 4265 - vector.tcc:589-590 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 4264 - domdec_constraints.cpp:254-264 - libgromacs_mpi.so.7 [...]+		0.01	0.02	0.02	1		0.00
○Loop 4273 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 4271 - stl_vector.h:296-1646 - libgromacs_mpi.so.7 [...]+		0	0.01	0.01	1		0.00
○Loop 4272 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4266 - stl_algobase.h:752-754 - libgromacs_mpi.so.7		0	0	0	1		0.00
○Loop 4267 - stl_algobase.h:752-754 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4269 - stl_algobase.h:752-754 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4270 - stl_algobase.h:752-754 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4274 - mtop_lookup.h:93-106 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►copy_fftgrid_to_pmegrid(gmx_pme_t, float const, float*, int, int, int)+	libgromacs_mpi.so.7	0.03	0.07	0.07	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.02	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►Loop 22684 - pme_grid.cpp:395-418 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 22686 - pme_grid.cpp:395-404 - libgromacs_mpi.so.7		0.03	0.07	0.07	1		0.00
○Loop 22685 - pme_grid.cpp:402-404 - libgromacs_mpi.so.7		0	0	0	0		0.00
○fftwf_khc2c_register	libfftw3f.so.3.5.5	0.03	0.08	0.08	1	Math (%): 100.00	7.73
►_INTERNAL719fd497::calc_cg_move(_IO_FILE, long, gmx_domdec_t, t_state, int const, float () [3], float const, float const*, MoveLimits const&, int, int, gmx::ArrayRef<int>)+	libgromacs_mpi.so.7	0.02	0.04	0.04	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 4891 - redistribute.cpp:214-392 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 4887 - redistribute.cpp:74-428 - libgromacs_mpi.so.7 [...]+		0	0	0	1		0.00
►Loop 4886 - redistribute.cpp:349-421 - libgromacs_mpi.so.7 [...]+		0.01	0.04	0.04	1		0.00
○Loop 4889 - redistribute.cpp:419-421 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4890 - redistribute.cpp:414-416 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4888 - redistribute.cpp:74-312 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○fftwf_dft_solve	libfftw3f.so.3.5.5	0.02	0.06	0.06	1	Math (%): 100.00	15.65
►_INTERNALbed727ba::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	0.06	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.17	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 2625 - grid.cpp:415-420 - libgromacs_mpi.so.7		0.01	0.03	0.03	1		0.13
►Loop 2622 - grid.cpp:329-437 - libgromacs_mpi.so.7 [...]+		0.01	0.02	0.02	1		0.31
○Loop 2626 - grid.cpp:385-389 - libgromacs_mpi.so.7 [...]		0	0.01	0.01	1		0.00
○Loop 2627 - grid.cpp:397-402 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 2624 - grid.cpp:426-431 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2623 - grid.cpp:437-437 - libgromacs_mpi.so.7		0	0	0	0		0.00
►std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNAL72b35b0f::(anonymous namespace)::rbdihs<(BondedKernelFlavor)0>(int, int const, t_iparams const, float const () [3], float () [4], float (*) [3], t_pbc co...+	libgromacs_mpi.so.7	0.02	0.07	0.07	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	22.09	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 22156 - bonded.cpp:2179-2256 - libgromacs_mpi.so.7 [...]		0.02	0.07	0.07	1		22.05
►globalAtomIndexToMoltypeIndices(gmx::ArrayRef<MolblockIndices const>, int)+	libgromacs_mpi.so.7	0.02	0.04	0.04	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 4906 - reversetopology.cpp:140-147 - libgromacs_mpi.so.7 [...]		0	0.01	0.01	1		0.00
►float _INTERNAL72b35b0f::(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*...+	libgromacs_mpi.so.7	0.02	0.07	0.07	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	2.43	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 22159 - bonded.cpp:1822-2327 - libgromacs_mpi.so.7 [...]		0.02	0.07	0.07	1		2.38
○_IO_vfprintf	libc-2.28.so	0.02	0.04	0.04	1	IO (%): 100.00	0.00
►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))\|\|(!(1)), float>::type _INTERNAL72b35b0f::(anonymous namespace)::rbdihs<(BondedKernelFlavor)2>(int, int const, t_iparams const, float const () [3], float () [4], float (*) [3]...+	libgromacs_mpi.so.7	0.02	0.06	0.06	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	2.33	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 22220 - bonded.cpp:129-3032 - libgromacs_mpi.so.7 [...]		0.02	0.06	0.06	1		2.33
►copy_pmegrid_to_fftgrid(gmx_pme_t const, float const, float*, int)+	libgromacs_mpi.so.7	0.02	0.07	0.07	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►Loop 22680 - pme_grid.cpp:271-349 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 22681 - pme_grid.cpp:301-349 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 22683 - pme_grid.cpp:301-303 - libgromacs_mpi.so.7		0.02	0.07	0.07	1		0.00
○Loop 22682 - pme_grid.cpp:303-309 - libgromacs_mpi.so.7		0	0	0	0		0.00
○make_dp_periodic(float*)	libgromacs_mpi.so.7	0.01	0.01	0.01	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	5.50	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►void _INTERNAL86d71067::orderVector<gmx::BasicVector<float> >(gmx::ArrayRef<gmx_cgsort const>, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >)+	libgromacs_mpi.so.7	0.01	0.02	0.02	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 4723 - stl_algobase.h:322-324 - libgromacs_mpi.so.7 [...]		0.01	0.01	0.01	1		0.00
○Loop 4724 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7 [...]		0	0	0	1		0.00
►_INTERNAL719fd497::copyMovedAtomsToBufferPerAtom(gmx::ArrayRef<int const>, int, int, float () [3], gmx_domdec_comm_t)+	libgromacs_mpi.so.7	0.01	0.01	0.01	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 4877 - redistribute.cpp:91-100 - libgromacs_mpi.so.7 [...]		0.01	0.01	0.01	1		0.00
►void std::vector<int, std::allocator<int> >::_M_range_insert<gmx::ArrayRefIter<int const> >(__gnu_cxx::__normal_iterator<int*, std::vector<int, std::allocator<int> > >, gmx::ArrayRefIter<int const>, gmx::Arra...+	libgromacs_mpi.so.7	0.01	0.02	0.02	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 4592 - stl_algobase.h:322-324 - libgromacs_mpi.so.7		0	0	0	1		0.00
○Loop 4589 - stl_algobase.h:322-324 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4590 - stl_algobase.h:322-324 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4593 - stl_algobase.h:322-324 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4591 - stl_algobase.h:322-324 - libgromacs_mpi.so.7		0	0	0	0		0.00
○_INTERNALb629d8fd::icell_set_x(int, float, float, float, int, float const, ClusterDistanceKernelType, NbnxnPairlistCpuWork)	libgromacs_mpi.so.7	0.01	0.02	0.02	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	3.25	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►_INTERNAL86d71067::dd_sort_order_nbnxn(t_forcerec const, std::vector<gmx_cgsort, std::allocator<gmx_cgsort> >)+	libgromacs_mpi.so.7	0.01	0.01	0.01	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 4726 - stl_uninitialized.h:526-526 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4730 - stl_uninitialized.h:526-526 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 4727 - partition.cpp:2549-2557 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 4725 - vector.tcc:589-589 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4733 - stl_uninitialized.h:82-82 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4734 - stl_uninitialized.h:82-82 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4731 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7 [...]		0	0.01	0.01	1		0.00
○Loop 4732 - stl_uninitialized.h:526-526 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4735 - stl_uninitialized.h:526-526 - libgromacs_mpi.so.7 [...]		0	0	0	1		0.00
○Loop 4729 - stl_uninitialized.h:82-82 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4728 - stl_uninitialized.h:82-82 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►_INTERNALbed727ba::Nbnxm::sort_cluster_on_flag(int, int, int, gmx::ArrayRef<long const>, gmx::ArrayRef<int>, int*)+	libgromacs_mpi.so.7	0.01	0.04	0.04	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►Loop 2609 - grid.cpp:816-868 - libgromacs_mpi.so.7 [...]+		0	0.01	0.01	1		0.00
○Loop 2615 - grid.cpp:825-825 - libgromacs_mpi.so.7		0.01	0.02	0.02	1		0.00
○Loop 2611 - grid.cpp:855-857 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2614 - grid.cpp:823-834 - libgromacs_mpi.so.7		0	0	0	1		0.00
○Loop 2613 - grid.cpp:851-853 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2610 - grid.cpp:855-857 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2612 - grid.cpp:851-853 - libgromacs_mpi.so.7		0	0	0	0		0.00
○fftwf_mkplan_hc2hc	libfftw3f.so.3.5.5	0.01	0.03	0.03	1	Math (%): 100.00	7.42
○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-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.13	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○gmx::SettleData::hw2() const	libgromacs_mpi.so.7	0.01	0.02	0.02	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	16.00	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►void _INTERNALb629d8fd::get_cell_range<1>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int, int)+	libgromacs_mpi.so.7	0.01	0.03	0.03	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	12.79	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 3289 - pairlist.cpp:281-285 - libgromacs_mpi.so.7		0	0	0	1		0.00
○Loop 3290 - pairlist.cpp:272-276 - libgromacs_mpi.so.7		0	0.01	0.01	1		12.38
►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	0.01	0.03	0.03	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 2607 - grid.cpp:921-923 - libgromacs_mpi.so.7 [...]		0	0	0	1		0.00
○Loop 2606 - grid.cpp:504-511 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2600 - grid.cpp:598-605 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2605 - grid.cpp:504-511 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2601 - grid.cpp:531-538 - libgromacs_mpi.so.7		0	0	0	1		0.00
○Loop 2602 - grid.cpp:531-538 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2608 - grid.cpp:911-915 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2599 - grid.cpp:598-605 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2597 - grid.cpp:476-483 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2603 - grid.cpp:531-538 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2604 - grid.cpp:504-511 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 2598 - grid.cpp:633-633 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 2596 - grid.cpp:476-483 - libgromacs_mpi.so.7		0	0	0	0		0.00
○fftwf_mkproblem_rdft_0_d	libfftw3f.so.3.5.5	0.01	0.01	0.01	1	Math (%): 100.00	49.88
►void _INTERNAL86d71067::orderVector<int>(gmx::ArrayRef<gmx_cgsort const>, gmx::ArrayRef<int>, gmx::ArrayRef<int>)+	libgromacs_mpi.so.7	0.01	0.01	0.01	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 4648 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7 [...]		0.01	0.01	0.01	1		0.00
○Loop 4647 - stl_algobase.h:322-324 - libgromacs_mpi.so.7		0	0	0	0		0.00
○fftwf_cpy2d_pair	libfftw3f.so.3.5.5	0.01	0.02	0.02	1	Math (%): 100.00	1.56
○fftwf_rdft2_solve	libfftw3f.so.3.5.5	0.01	0.04	0.04	1	Math (%): 100.00	8.09
►_INTERNALd64f4cfb::atomInMolblockFromGlobalAtomnr(gmx::ArrayRef<MolblockIndices const>, int)+	libgromacs_mpi.so.7	0.01	0.03	0.03	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 4511 - stl_algo.h:621-633 - libgromacs_mpi.so.7 [...]		0	0.01	0.01	1		0.00
►_INTERNAL14e05f89::postProcessForces(t_commrec const, long, t_nrnb, gmx_wallcycle, float const () [3], gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ForceOutputs, float () [3], t_mdatoms const, t_forcerec const, gmx::VirtualSitesHa...+	libgromacs_mpi.so.7	0.01	0.04	0.04	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	2.22	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 20295 - sim_util.cpp:150-150 - libgromacs_mpi.so.7 [...]		0.01	0.04	0.04	1		2.22
○Loop 20296 - sim_util.cpp:270-287 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○fftwf_isqrt	libfftw3f.so.3.5.5	0.01	0.02	0.02	1	Math (%): 100.00	0.00
○_INTERNALb629d8fd::makeClusterListWrapper(NbnxnPairlistCpu, Nbnxm::Grid const&, int, Nbnxm::Grid const&, int, int, bool, nbnxn_atomdata_t const, float, float, ClusterDistanceKernelType, int*)	libgromacs_mpi.so.7	0.01	0.02	0.02	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	8.88	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○fftwf_transpose	libfftw3f.so.3.5.5	0.01	0.01	0.01	1	Math (%): 100.00	0.00
○gmx::SettleData::ow1() const	libgromacs_mpi.so.7	0.01	0.02	0.02	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	15.00	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►_INTERNAL86d71067::make_dd_indices(gmx_domdec_t*, int)+	libgromacs_mpi.so.7	0.01	0.02	0.02	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 4787 - stl_algobase.h:752-754 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4789 - stl_algobase.h:752-754 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4786 - vector.tcc:589-589 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 4781 - partition.cpp:511-536 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 4782 - partition.cpp:511-536 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 4783 - partition.cpp:525-536 - libgromacs_mpi.so.7 [...]+		0.01	0.02	0.02	1		0.00
○Loop 4785 - hashedmap.h:167-167 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4784 - hashedmap.h:187-189 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4780 - partition.cpp:505-505 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4788 - stl_algobase.h:752-754 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4790 - stl_algobase.h:752-754 - libgromacs_mpi.so.7		0	0	0	0		0.00
►L__Z31nbnxn_atomdata_copy_x_to_nbat_xRKN5Nbnxm7GridSetEN3gmx12AtomLocalityEPA3_KfP16nbnxn_atomdata_t_993__par_region0_2_54+	libgromacs_mpi.so.7	0.01	0.01	0.01	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►Loop 2221 - atomdata.cpp:994-1011 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 2222 - atomdata.cpp:998-1011 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 2223 - atomdata.cpp:1006-1011 - libgromacs_mpi.so.7 [...]		0.01	0.01	0.01	1		0.00
○hack_digit	libc-2.28.so	0.01	0.02	0.02	1	System (%): 100.00	0.00
►setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&)+	libgromacs_mpi.so.7	0.01	0.03	0.03	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►Loop 22371 - manage_threading.cpp:336-397 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 22370 - manage_threading.cpp:351-367 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
►Loop 22372 - manage_threading.cpp:363-367 - libgromacs_mpi.so.7 [...]+		0.01	0.01	0.01	1		0.00
○Loop 22373 - manage_threading.cpp:365-367 - libgromacs_mpi.so.7 [...]		0.01	0.02	0.02	1		0.00
○constrained_atom_sigma2(float, atom_nonbonded_kinetic_prop_t const, float, float*)	libgromacs_mpi.so.7	0.01	0.03	0.03	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	1.96	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef<float const>, float, bool, t_commrec const, gmx::Lincs)+	libgromacs_mpi.so.7	0.01	0.01	0.01	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 19785 - lincs.cpp:2079-2081 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 19781 - lincs.cpp:2229-2231 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 19786 - lincs.cpp:2079-2081 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 19787 - lincs.cpp:1981-1984 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
►Loop 19782 - lincs.cpp:2085-2181 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 19784 - lincs.cpp:2117-2151 - libgromacs_mpi.so.7 [...]		0.01	0.01	0.01	1		0.00
○Loop 19783 - lincs.cpp:2166-2172 - libgromacs_mpi.so.7		0	0	0	0		0.00
►Loop 19780 - lincs.cpp:2197-2210 - libgromacs_mpi.so.7 [...]+		0	0	0	0		0.00
○Loop 19779 - lincs.cpp:2197-2210 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○__libm_exp_k32	libgromacs_mpi.so.7	0.01	0.01	0.01	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	4.63
○gmx_reverse_top_t::hasPositionRestraints() const	libgromacs_mpi.so.7	0.01	0.01	0.01	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○fftwf_codelet_n1_2	libfftw3f.so.3.5.5	0.01	0.01	0.01	1	Math (%): 100.00	1.13
►_INTERNALcd96ede4::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-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►Loop 4275 - domdec_constraints.cpp:314-375 - libgromacs_mpi.so.7 [...]+		0.01	0.01	0.01	1		0.00
►Loop 4276 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7 [...]+		0.01	0.02	0.02	1		0.00
○Loop 4282 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4281 - stl_algobase.h:752-754 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4280 - stl_algobase.h:752-754 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4278 - stl_algobase.h:752-754 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4279 - stl_algobase.h:752-754 - libgromacs_mpi.so.7		0	0	0	0		0.00
○Loop 4277 - vector.tcc:589-590 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00
○Loop 4283 - mtop_lookup.h:93-106 - libgromacs_mpi.so.7 [...]		0	0	0	1		0.00
►void _INTERNALb629d8fd::get_cell_range<0>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int, int)+	libgromacs_mpi.so.7	0.01	0.04	0.04	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	7.41	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 3299 - pairlist.cpp:272-276 - libgromacs_mpi.so.7		0.01	0.01	0.01	1		7.13
○Loop 3298 - pairlist.cpp:281-285 - libgromacs_mpi.so.7		0	0.01	0.01	1		14.13
►void _INTERNAL86d71067::orderVector<long>(gmx::ArrayRef<gmx_cgsort const>, gmx::ArrayRef<long>, gmx::ArrayRef<long>)+	libgromacs_mpi.so.7	0.01	0.02	0.02	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.00	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
○Loop 4650 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7 [...]		0.01	0.02	0.02	1		0.00
○Loop 4649 - stl_algobase.h:322-324 - libgromacs_mpi.so.7		0	0	0	0		0.00
○_IO_file_xsputn	libc-2.28.so	0.01	0.02	0.02	1	IO (%): 100.00	0.00
►_INTERNAL661916bb::gmx::set_lincs_matrix_task(_INTERNAL661916bb::gmx::Lincs, _INTERNAL661916bb::gmx::Task, _INTERNAL661916bb::gmx::ArrayRef<float const>, int, int)+	libgromacs_mpi.so.7	0.01	0.02	0.02	1	/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00	0.63	Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor...
►Loop 19738 - lincs.cpp:1251-1324 - libgromacs_mpi.so.7 [...]+		0	0	0	1		0.00
►Loop 19739 - lincs.cpp:1255-1324 - libgromacs_mpi.so.7 [...]+		0.01	0.01	0.01	1		1.25
○Loop 19740 - lincs.cpp:1291-1324 - libgromacs_mpi.so.7 [...]		0	0	0	0		0.00

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