OV - gmx_mpi - Functions and Loops

Name	Module	Coverage 1x52 (%)	Max Time Over Threads 1x52 (s)	Time w.r.t. Wall Time 1x52 (s)	Nb Threads 1x52	Deviation (coverage) 1x52	Deviation (walltime) 1x52	Categories 1x52	GFLOPS 1x52	Compilation Options
○bool _INTERNAL8eaaea23::__kmp_wait_template<kmp_flag_64<false, true>, true, false, true>(kmp_info, kmp_flag_64<false, true>, void*)	libiomp5.so	31.5	29.6	23.04	51	5.25	3.79	OMP (%): 100.00	0.00
►nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)+	libgromacs_mpi.so.7	21.01	16.01	15.37	52	0.42	0.29	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	2274.65	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 1059 - kernel_outer.h:333-595 - libgromacs_mpi.so.7 [...]+		0.43	0.51	0.31	52	0.11	0.08		662.90
○Loop 1064 - kernel_outer.h:547-547 - libgromacs_mpi.so.7 [...]		13.71	13.16	10.03	52	3.53	2.55		2333.84
○Loop 1062 - kernel_outer.h:565-565 - libgromacs_mpi.so.7 [...]		5.12	9.56	3.74	52	3.73	2.70		2414.68
○Loop 1065 - impl_x86_avx_512_simd_float.h:71-462 - libgromacs_mpi.so.7 [...]		0.68	0.75	0.49	52	0.18	0.13		1815.35
○Loop 1063 - impl_x86_avx_512_simd_float.h:71-462 - libgromacs_mpi.so.7 [...]		0.53	1.09	0.39	52	0.41	0.30		2003.28
○Loop 1060 - kernel_outer.h:581-581 - libgromacs_mpi.so.7 [...]		0.48	0.56	0.35	51	0.21	0.15		1674.97
○Loop 1061 - kernel_outer.h:575-578 - libgromacs_mpi.so.7 [...]		0.06	0.09	0.05	48	0.03	0.02		1187.20
►fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)+	libgromacs_mpi.so.7	7.02	6.73	5.14	52	0.84	0.61	/home/eoseret/GROMACS/install/icx/lib/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 /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 15443 - fft5d.cpp:789-1407 - libgromacs_mpi.so.7 [...]+		0.01	0.02	0.01	37	0.01	0.01		0.00
►Loop 15451 - fft5d.cpp:854-1369 - libgromacs_mpi.so.7 [...]+		0	0.01	0	10	0.00	0.00		0.00
►Loop 15452 - fft5d.cpp:876-1166 - libgromacs_mpi.so.7 [...]+		0	0.01	0	15	0.00	0.00		0.00
►Loop 15453 - fft5d.cpp:880-1166 - libgromacs_mpi.so.7 [...]+		0.03	0.05	0.02	50	0.02	0.01		0.00
○Loop 15455 - fft5d.cpp:884-886 - libgromacs_mpi.so.7		5.45	5.4	3.99	52	0.70	0.51		0.00
○Loop 15454 - fft5d.cpp:884-886 - libgromacs_mpi.so.7		0.13	0.32	0.09	48	0.09	0.07		0.00
►Loop 15456 - fft5d.cpp:880-886 - libgromacs_mpi.so.7+		0	0	0	0	0.00	0.00		0.00
○Loop 15457 - fft5d.cpp:884-886 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►Loop 15444 - fft5d.cpp:918-1391 - libgromacs_mpi.so.7 [...]+		0	0.01	0	9	0.00	0.00		0.00
►Loop 15445 - fft5d.cpp:939-1166 - libgromacs_mpi.so.7 [...]+		0	0.01	0	19	0.00	0.00		0.00
►Loop 15446 - fft5d.cpp:943-1166 - libgromacs_mpi.so.7 [...]+		0.01	0.02	0.01	36	0.01	0.00		0.00
○Loop 15448 - fft5d.cpp:947-949 - libgromacs_mpi.so.7		1.38	1.34	1.01	52	0.18	0.13		0.00
○Loop 15447 - fft5d.cpp:947-949 - libgromacs_mpi.so.7		0	0.02	0	17	0.00	0.00		0.00
►Loop 15449 - fft5d.cpp:943-949 - libgromacs_mpi.so.7+		0	0	0	0	0.00	0.00		0.00
○Loop 15450 - fft5d.cpp:947-949 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►Loop 15458 - fft5d.cpp:789-820 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
►Loop 15459 - fft5d.cpp:810-820 - libgromacs_mpi.so.7+		0	0	0	0	0.00	0.00		0.00
►Loop 15460 - fft5d.cpp:814-820 - libgromacs_mpi.so.7+		0	0	0	0	0.00	0.00		0.00
○Loop 15461 - fft5d.cpp:818-820 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 15462 - fft5d.cpp:818-820 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone .extracted]+	libgromacs_mpi.so.7	4.78	4.24	3.5	52	0.56	0.40	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	7.45	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 15349 - pme_spread.cpp:477-1011 - libgromacs_mpi.so.7 [...]+		0	0.01	0	15	0.00	0.00		0.00
►Loop 15350 - pme_spread.cpp:538-702 - libgromacs_mpi.so.7 [...]+		0	0	0	3	0.00	0.00		0.00
►Loop 15351 - pme_spread.cpp:556-702 - libgromacs_mpi.so.7 [...]+		0	0.01	0	16	0.00	0.00		0.00
►Loop 15352 - pme_spread.cpp:574-702 - libgromacs_mpi.so.7 [...]+		0.01	0.02	0	27	0.01	0.00		0.00
►Loop 15353 - pme_spread.cpp:633-641 - libgromacs_mpi.so.7+		0.02	0.05	0.01	44	0.01	0.01		0.00
►Loop 15354 - pme_spread.cpp:635-641 - libgromacs_mpi.so.7+		4.75	4.23	3.47	52	0.56	0.40		7.52
○Loop 15355 - pme_spread.cpp:639-641 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 15356 - pme_spread.cpp:639-641 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►Loop 15369 - pme_spread.cpp:635-702 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
►Loop 15370 - pme_spread.cpp:685-702 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 15371 - pme_spread.cpp:700-702 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►Loop 15363 - pme_spread.cpp:635-695 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
►Loop 15364 - pme_spread.cpp:685-695 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 15365 - pme_spread.cpp:693-695 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►Loop 15360 - pme_spread.cpp:635-695 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 15361 - pme_spread.cpp:685-695 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 15362 - pme_spread.cpp:685-695 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►Loop 15366 - pme_spread.cpp:635-702 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
►Loop 15367 - pme_spread.cpp:685-702 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 15368 - pme_spread.cpp:700-702 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►Loop 15357 - pme_spread.cpp:635-695 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
►Loop 15358 - pme_spread.cpp:685-695 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 15359 - pme_spread.cpp:693-695 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone .extracted.11]+	libgromacs_mpi.so.7	4.29	4.3	3.14	52	1.04	0.76	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	112.10	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 15372 - pme_spread.cpp:188-988 - libgromacs_mpi.so.7 [...]+		0.01	0.02	0.01	36	0.01	0.00		1.00
►Loop 15382 - pme_spread.cpp:358-400 - libgromacs_mpi.so.7 [...]+		1.42	1.5	1.04	52	0.47	0.34		187.87
►Loop 15383 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7+		0	0	0	0	0.00	0.00		0.00
►Loop 15384 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7+		0	0	0	0	0.00	0.00		0.00
○Loop 15385 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 15386 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 15387 - pme_simd4.h:138-148 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►Loop 15388 - pme_spread.cpp:277-975 - libgromacs_mpi.so.7 [...]+		1.13	1.18	0.83	52	0.37	0.27		188.66
►Loop 15389 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7+		0	0	0	0	0.00	0.00		0.00
○Loop 15391 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►Loop 15393 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7+		0	0	0	0	0.00	0.00		0.00
○Loop 15392 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 15390 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►Loop 15394 - pme_spread.cpp:188-199 - libgromacs_mpi.so.7 [...]+		0.06	0.09	0.04	52	0.02	0.02		0.00
○Loop 15395 - pme_spread.cpp:197-199 - libgromacs_mpi.so.7		0.01	0.02	0	24	0.00	0.00		0.00
○Loop 15396 - pme_spread.cpp:197-199 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►Loop 15373 - pme_spread.cpp:439-447 - libgromacs_mpi.so.7+		0.01	0.02	0.01	40	0.01	0.01		0.00
►Loop 15374 - pme_spread.cpp:441-447 - libgromacs_mpi.so.7+		0.83	0.94	0.61	52	0.22	0.16		0.00
○Loop 15375 - pme_spread.cpp:445-447 - libgromacs_mpi.so.7		0.83	1.04	0.6	52	0.24	0.18		0.00
►Loop 15376 - pme_spread.cpp:439-447 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 15377 - pme_spread.cpp:441-447 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 15378 - pme_spread.cpp:441-447 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►Loop 15379 - pme_spread.cpp:439-447 - libgromacs_mpi.so.7+		0	0	0	0	0.00	0.00		0.00
►Loop 15380 - pme_spread.cpp:441-447 - libgromacs_mpi.so.7+		0	0	0	0	0.00	0.00		0.00
○Loop 15381 - pme_spread.cpp:445-447 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►gather_f_bsplines(gmx_pme_t const, float const, bool, PmeAtomComm const, splinedata_t const, float)+	libgromacs_mpi.so.7	4.23	4.73	3.09	52	1.57	1.14	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	324.21	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 15113 - pme_gather.cpp:94-348 - libgromacs_mpi.so.7 [...]+		4.23	4.73	3.09	52	1.57	1.14		324.21
►Loop 15114 - pme_gather.cpp:103-323 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
►Loop 15115 - pme_gather.cpp:103-323 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 15116 - pme_gather.cpp:116-120 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 15117 - pme_gather.cpp:247-251 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)+	libgromacs_mpi.so.7	3.1	2.41	2.26	52	0.12	0.09	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	2661.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 1066 - kernel_outer.h:333-603 - libgromacs_mpi.so.7 [...]+		0.07	0.1	0.05	52	0.03	0.02		523.60
○Loop 1071 - kernel_outer.h:547-547 - libgromacs_mpi.so.7 [...]		2.02	2.05	1.47	52	0.56	0.40		2716.79
○Loop 1069 - kernel_outer.h:565-565 - libgromacs_mpi.so.7 [...]		0.78	1.41	0.57	52	0.55	0.40		2805.62
○Loop 1072 - impl_x86_avx_512_simd_float.h:71-462 - libgromacs_mpi.so.7 [...]		0.08	0.1	0.06	52	0.03	0.02		2566.67
○Loop 1070 - impl_x86_avx_512_simd_float.h:71-462 - libgromacs_mpi.so.7 [...]		0.07	0.17	0.05	52	0.06	0.04		2747.20
○Loop 1067 - kernel_outer.h:581-581 - libgromacs_mpi.so.7 [...]		0.07	0.09	0.05	50	0.03	0.02		1873.60
○Loop 1068 - kernel_outer.h:575-578 - libgromacs_mpi.so.7 [...]		0.01	0.03	0.01	43	0.01	0.01		976.00
►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	2.25	2.07	1.64	52	0.24	0.17	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	88.27	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 13344 - lincs.cpp:270-287 - libgromacs_mpi.so.7 [...]+		0	0.01	0	15	0.00	0.00		0.00
►Loop 13345 - lincs.cpp:270-287 - libgromacs_mpi.so.7 [...]+		2.24	2.07	1.64	52	0.24	0.17		88.27
○Loop 13346 - lincs.cpp:282-284 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►Loop 13340 - lincs.cpp:270-340 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
►Loop 13341 - lincs.cpp:270-340 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 13343 - lincs.cpp:332-336 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 13342 - lincs.cpp:332-336 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 13338 - lincs.cpp:320-322 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 13339 - lincs.cpp:320-320 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○_ZN17_INTERNAL8eaaea2326__kmp_hyper_barrier_gatherE12barrier_typeP8kmp_infoiiPFvPvS3_ES3_..0	libiomp5.so	1.71	12.24	1.25	52	3.80	2.76	OMP (%): 100.00	0.00
►nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]+	libgromacs_mpi.so.7	1.6	1.44	1.17	52	0.19	0.13	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	24.48	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 1617 - atomdata.cpp:1053-1223 - libgromacs_mpi.so.7 [...]+		0	0	0	5	0.00	0.00		0.00
►Loop 1618 - atomdata.cpp:1053-1223 - libgromacs_mpi.so.7 [...]+		0.03	0.05	0.02	51	0.01	0.01		152.00
○Loop 1626 - atomdata.cpp:1207-1211 - libgromacs_mpi.so.7 [...]		0.34	0.32	0.25	52	0.05	0.04		21.76
►Loop 1622 - atomdata.cpp:1119-1124 - libgromacs_mpi.so.7 [...]+		0.12	0.19	0.09	49	0.06	0.04		23.11
○Loop 1623 - atomdata.cpp:1122-1124 - libgromacs_mpi.so.7 [...]		0.66	0.88	0.48	51	0.24	0.18		25.33
○Loop 1624 - atomdata.cpp:1122-1124 - libgromacs_mpi.so.7 [...]		0.29	0.53	0.21	48	0.18	0.13		19.05
○Loop 1625 - atomdata.cpp:1207-1211 - libgromacs_mpi.so.7 [...]		0.02	0.04	0.01	48	0.01	0.01		0.00
►Loop 1619 - atomdata.cpp:1106-1111 - libgromacs_mpi.so.7 [...]+		0.01	0.13	0.01	17	0.04	0.03		0.00
○Loop 1620 - atomdata.cpp:1109-1111 - libgromacs_mpi.so.7 [...]		0.08	0.49	0.06	18	0.25	0.18		16.00
○Loop 1621 - atomdata.cpp:1109-1111 - libgromacs_mpi.so.7 [...]		0.07	0.46	0.05	21	0.19	0.13		19.20
►clearForceBuffer(nbnxn_atomdata_t*, int)+	libgromacs_mpi.so.7	1.35	1.3	0.99	52	0.20	0.14	/home/eoseret/GROMACS/install/icx/lib/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 /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○Loop 1757 - kernel_common.cpp:56-76 - libgromacs_mpi.so.7 [...]		1.35	1.3	0.99	52	0.20	0.14		0.00
○Loop 1756 - kernel_common.cpp:56-76 - libgromacs_mpi.so.7 [...]		0	0	0	2	0.00	0.00		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.68]+	libgromacs_mpi.so.7	1.07	0.89	0.78	52	0.07	0.05	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	103.31	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 3120 - pairlist.cpp:152-4018 - libgromacs_mpi.so.7 [...]+		0	0	0	2	0.00	0.00		0.00
○Loop 3199 - pairlist.cpp:2891-2891 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3197 - pairlist.cpp:258-3129 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►Loop 3158 - pairlist.cpp:152-3996 - libgromacs_mpi.so.7 [...]+		0	0.01	0	18	0.00	0.00		0.00
○Loop 3157 - pairlist.cpp:2778-2781 - libgromacs_mpi.so.7 [...]		0	0	0	2	0.00	0.00		0.00
►Loop 3159 - pairlist.cpp:152-3996 - libgromacs_mpi.so.7 [...]+		0	0.01	0	27	0.00	0.00		0.00
►Loop 3160 - pairlist.cpp:152-3996 - libgromacs_mpi.so.7 [...]+		0.02	0.03	0.01	48	0.01	0.01		14.00
►Loop 3161 - pairlist.cpp:152-3996 - libgromacs_mpi.so.7 [...]+		0.04	0.07	0.03	52	0.02	0.01		9.00
►Loop 3179 - pairlist.cpp:152-3996 - libgromacs_mpi.so.7 [...]+		0.02	0.04	0.01	47	0.01	0.01		32.00
►Loop 3180 - pairlist_simd_2xmm.h:130-242 - libgromacs_mpi.so.7 [...]+		0.25	0.23	0.18	52	0.04	0.03		87.44
○Loop 3185 - pairlist_simd_2xmm.h:130-174 - libgromacs_mpi.so.7 [...]		0.29	0.26	0.21	52	0.04	0.03		184.00
○Loop 3191 - pairlist.cpp:3407-3409 - libgromacs_mpi.so.7		0.15	0.16	0.11	52	0.03	0.02		7.64
○Loop 3184 - pairlist_simd_2xmm.h:185-229 - libgromacs_mpi.so.7 [...]		0.08	0.11	0.06	52	0.02	0.02		277.83
○Loop 3183 - pairlist.cpp:152-934 - libgromacs_mpi.so.7 [...]		0.06	0.08	0.05	52	0.02	0.02		136.20
○Loop 3192 - pairlist.cpp:3392-3394 - libgromacs_mpi.so.7		0.03	0.04	0.02	52	0.01	0.01		27.00
○Loop 3181 - pairlist.cpp:3008-3008 - libgromacs_mpi.so.7 [...]		0.01	0.03	0.01	45	0.01	0.01		0.00
►Loop 3189 - pairlist.cpp:983-1017 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 3190 - pairlist.cpp:1000-1012 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►Loop 3187 - pairlist.cpp:1028-1062 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 3188 - pairlist.cpp:1045-1057 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3186 - stl_vector.h:1280-1289 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3182 - pairlist.cpp:3008-3008 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3165 - pairlist.cpp:1991-1995 - libgromacs_mpi.so.7 [...]		0.01	0.03	0.01	40	0.01	0.01		0.00
○Loop 3167 - pairlist.cpp:1981-1985 - libgromacs_mpi.so.7 [...]		0.01	0.03	0.01	43	0.01	0.01		0.00
►Loop 3175 - pairlist.cpp:607-1420 - libgromacs_mpi.so.7 [...]+		0.01	0.02	0.01	39	0.01	0.00		0.00
►Loop 3176 - pairlist.cpp:607-1420 - libgromacs_mpi.so.7 [...]+		0.05	0.08	0.04	52	0.02	0.01		0.00
○Loop 3177 - pairlist.cpp:607-1326 - libgromacs_mpi.so.7 [...]		0.02	0.05	0.01	44	0.01	0.01		0.00
○Loop 3169 - stl_algobase.h:918-919 - libgromacs_mpi.so.7		0	0	0	2	0.00	0.00		0.00
►Loop 3172 - pairlist.cpp:1432-1648 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
►Loop 3173 - pairlist.cpp:1432-1638 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 3174 - pairlist.cpp:1432-1638 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3166 - pairlist.cpp:1981-1985 - libgromacs_mpi.so.7 [...]		0	0	0	3	0.00	0.00		0.00
○Loop 3162 - pairlist.cpp:1998-2000 - libgromacs_mpi.so.7		0	0.02	0	12	0.00	0.00		0.00
○Loop 3178 - pairlist.cpp:1252-1255 - libgromacs_mpi.so.7		0	0	0	2	0.00	0.00		0.00
○Loop 3168 - stl_algobase.h:918-919 - libgromacs_mpi.so.7		0	0	0	4	0.00	0.00		0.00
○Loop 3163 - pairlist.cpp:1998-2000 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3194 - pairlist.cpp:272-276 - libgromacs_mpi.so.7		0	0.01	0	21	0.00	0.00		0.00
○Loop 3164 - pairlist.cpp:1991-1995 - libgromacs_mpi.so.7 [...]		0	0	0	5	0.00	0.00		0.00
○Loop 3193 - pairlist.cpp:279-283 - libgromacs_mpi.so.7		0	0.02	0	27	0.01	0.00		0.00
○Loop 3171 - stl_algobase.h:918-919 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3170 - stl_algobase.h:918-919 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3196 - pairlist.cpp:272-276 - libgromacs_mpi.so.7		0.01	0.02	0	35	0.01	0.00		0.00
○Loop 3195 - pairlist.cpp:281-283 - libgromacs_mpi.so.7		0	0.01	0	26	0.01	0.00		0.00
○Loop 3156 - pairlist.cpp:258-3129 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►Loop 3122 - pairlist.cpp:230-4018 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
►Loop 3123 - pairlist.cpp:230-4018 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
►Loop 3124 - pairlist.cpp:230-4018 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
►Loop 3125 - pairlist.cpp:230-4018 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
►Loop 3137 - pairlist.cpp:230-3958 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
►Loop 3138 - pairlist.cpp:230-3958 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
►Loop 3139 - pairlist.cpp:230-3958 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
►Loop 3140 - pairlist.cpp:230-3958 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
►Loop 3144 - pairlist.cpp:900-3958 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 3145 - pairlist.cpp:902-904 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3143 - pairlist.cpp:902-904 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3141 - pairlist.cpp:1152-3958 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►Loop 3146 - pairlist.cpp:900-3958 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 3147 - pairlist.cpp:902-904 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3142 - pairlist.cpp:902-904 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3148 - pairlist.cpp:517-596 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3149 - pairlist.cpp:1152-1188 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3150 - pairlist.cpp:3407-3409 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3151 - pairlist.cpp:3392-3394 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3127 - pairlist.cpp:2088-2116 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3126 - pairlist.cpp:2348-2358 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►Loop 3128 - pairlist.cpp:865-1834 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
►Loop 3129 - pairlist.cpp:865-1834 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
►Loop 3130 - pairlist.cpp:865-1816 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
►Loop 3131 - grid.h:239-295 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 3132 - pairlist.cpp:865-1816 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►Loop 3133 - pairlist.cpp:613-1938 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
►Loop 3134 - pairlist.cpp:613-1938 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 3135 - pairlist.cpp:613-1326 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3136 - pairlist.cpp:613-1255 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3152 - pairlist.cpp:279-283 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3153 - pairlist.cpp:272-276 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3154 - pairlist.cpp:281-283 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3155 - pairlist.cpp:272-276 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3121 - pairlist.cpp:2778-2781 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3198 - pairlist.cpp:2891-2891 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►gmx::csettle(gmx::SettleData const&, int, int, t_pbc const*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float, gmx::ArrayRefWithPadding<gmx::BasicVector<flo...+	libgromacs_mpi.so.7	0.92	0.88	0.67	52	0.15	0.11	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	183.16	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○Loop 13583 - settle.cpp:423-423 - libgromacs_mpi.so.7 [...]		0.82	0.78	0.6	52	0.14	0.10		180.00
○Loop 13584 - settle.cpp:423-423 - libgromacs_mpi.so.7 [...]		0.09	0.13	0.07	52	0.03	0.02		210.29
○Loop 13582 - settle.cpp:423-423 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13580 - settle.cpp:423-674 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13578 - settle.cpp:423-674 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13577 - settle.cpp:423-622 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13579 - settle.cpp:423-647 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13581 - settle.cpp:423-423 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○mkl_dft_avx512_owns_cRealRecombine_32f	libmkl_avx512.so.2	0.9	1.01	0.66	52	0.25	0.18	Math (%): 100.00	92.61
►gmx::lincs_update_atoms_ind(gmx::ArrayRef<int const>, gmx::ArrayRef<gmx::AtomPair const>, float, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>, float (*) [3])+	libgromacs_mpi.so.7	0.88	1.09	0.64	52	0.16	0.11	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	48.89	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○Loop 13350 - lincs.cpp:417-432 - libgromacs_mpi.so.7 [...]		0.88	1.09	0.64	52	0.16	0.11		48.89
○Loop 13349 - lincs.cpp:437-450 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		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	0.87	0.8	0.64	52	0.11	0.08	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	76.89	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○Loop 13337 - lincs.cpp:798-810 - libgromacs_mpi.so.7 [...]		0.38	0.38	0.28	52	0.06	0.05		82.29
►Loop 13335 - lincs.cpp:1085-1089 - libgromacs_mpi.so.7 [...]+		0.07	0.1	0.05	52	0.03	0.02		56.60
○Loop 13336 - lincs.cpp:1087-1089 - libgromacs_mpi.so.7 [...]		0.18	0.2	0.13	52	0.04	0.03		42.15
○Loop 13326 - lincs.cpp:1215-1223 - libgromacs_mpi.so.7		0.01	0.02	0.01	49	0.01	0.00		103.00
○Loop 13334 - lincs.cpp:1098-1098 - libgromacs_mpi.so.7 [...]		0.01	0.02	0.01	33	0.01	0.01		64.00
○Loop 13327 - lincs.cpp:1202-1207 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►Loop 13329 - lincs.cpp:798-1173 - libgromacs_mpi.so.7 [...]+		0	0.01	0	21	0.00	0.00		0.00
○Loop 13330 - lincs.cpp:919-931 - libgromacs_mpi.so.7 [...]		0.18	0.22	0.13	52	0.05	0.04		114.46
○Loop 13332 - lincs.cpp:1155-1155 - libgromacs_mpi.so.7 [...]		0.03	0.06	0.02	51	0.02	0.01		40.00
○Loop 13331 - lincs.cpp:1155-1155 - libgromacs_mpi.so.7 [...]		0	0	0	2	0.00	0.00		0.00
○Loop 13328 - lincs.cpp:1193-1195 - libgromacs_mpi.so.7		0	0.01	0	12	0.00	0.00		0.00
○Loop 13333 - lincs.cpp:1098-1098 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone .extracted.18]+	libgromacs_mpi.so.7	0.79	0.74	0.58	52	0.08	0.06	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	47.60	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 15397 - pme_spread.cpp:75-918 - libgromacs_mpi.so.7 [...]+		0	0.01	0	19	0.00	0.00		0.00
○Loop 15406 - pme_spread.cpp:104-145 - libgromacs_mpi.so.7 [...]		0.62	0.58	0.46	52	0.07	0.05		60.02
○Loop 15399 - pme_spread.cpp:172-174 - libgromacs_mpi.so.7		0.16	0.16	0.12	52	0.04	0.03		0.00
○Loop 15405 - pme_spread.cpp:104-133 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 15400 - pme_spread.cpp:165-167 - libgromacs_mpi.so.7		0	0	0	1	0.00	0.00		0.00
○Loop 15403 - stl_iterator.h:1750-1750 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 15398 - pme_spread.cpp:172-174 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 15409 - pme_spread.cpp:96-98 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 15404 - pme_spread.cpp:154-156 - libgromacs_mpi.so.7		0	0	0	5	0.00	0.00		0.00
○Loop 15408 - pme_spread.cpp:96-98 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 15407 - pme_spread.cpp:96-98 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 15401 - pme_spread.cpp:165-167 - libgromacs_mpi.so.7		0	0.01	0	8	0.00	0.00		0.00
○Loop 15402 - stl_uninitialized.h:351-351 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)+	libgromacs_mpi.so.7	0.78	0.7	0.57	52	0.08	0.06	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	474.77	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 15274 - pme_solve.cpp:234-561 - libgromacs_mpi.so.7 [...]+		0.09	0.11	0.07	52	0.02	0.02		455.29
○Loop 15276 - pme_solve.cpp:555-561 - libgromacs_mpi.so.7		0.51	0.48	0.38	52	0.06	0.04		101.05
○Loop 15279 - pme_solve.cpp:234-234 - libgromacs_mpi.so.7 [...]		0.05	0.07	0.04	52	0.02	0.01		1804.00
○Loop 15278 - pme_solve.cpp:234-234 - libgromacs_mpi.so.7 [...]		0.03	0.04	0.02	52	0.01	0.01		3464.01
○Loop 15283 - pme_solve.cpp:522-531 - libgromacs_mpi.so.7		0.02	0.04	0.01	49	0.01	0.01		211.00
○Loop 15286 - pme_solve.cpp:486-496 - libgromacs_mpi.so.7		0.02	0.05	0.02	51	0.01	0.01		200.00
○Loop 15281 - pme_solve.cpp:534-543 - libgromacs_mpi.so.7		0.01	0.02	0.01	52	0.01	0.01		2204.00
○Loop 15285 - pme_solve.cpp:499-511 - libgromacs_mpi.so.7		0.01	0.03	0.01	50	0.01	0.01		1184.00
○Loop 15289 - pme_solve.cpp:473-475 - libgromacs_mpi.so.7		0.01	0.02	0	33	0.01	0.00		0.00
○Loop 15282 - pme_solve.cpp:522-531 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 15284 - pme_solve.cpp:486-496 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 15275 - pme_solve.cpp:555-560 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 15287 - pme_solve.cpp:234-234 - libgromacs_mpi.so.7 [...]		0	0.01	0	33	0.00	0.00		0.00
○Loop 15288 - pme_solve.cpp:234-234 - libgromacs_mpi.so.7 [...]		0	0.02	0	45	0.01	0.00		0.00
○Loop 15293 - pme_solve.cpp:441-454 - libgromacs_mpi.so.7		0	0.02	0	29	0.01	0.00		0.00
○Loop 15294 - pme_solve.cpp:441-454 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 15290 - pme_solve.cpp:473-475 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 15277 - pme_solve.cpp:555-561 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 15280 - pme_solve.cpp:534-543 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 15292 - pme_solve.cpp:457-470 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 15291 - pme_solve.cpp:457-470 - libgromacs_mpi.so.7		0	0.02	0	29	0.01	0.01		0.00
○_INTERNAL8eaaea23::__kmp_hyper_barrier_gather(barrier_type, kmp_info, int, int, void ()(void, void), void*)	libiomp5.so	0.75	6.38	0.55	52	1.66	1.21	OMP (%): 100.00	0.00
►__intel_avx_rep_memcpy+	gmx_mpi	0.66	0.7	0.48	52	0.13	0.09	Memory (%): 100.00	0.00
○Loop 87 - - gmx_mpi		0.27	0.28	0.2	52	0.06	0.05		0.00
○Loop 86 - - gmx_mpi		0	0	0	0	0.00	0.00		0.00
○mkl_dft_avx512_ipps_cFFTfwd_64_32fc	libmkl_avx512.so.2	0.62	0.84	0.46	52	0.17	0.13	Math (%): 100.00	205.22
►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	0.56	0.61	0.41	52	0.11	0.08	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	28.07	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 4476 - threaded_force_buffer.cpp:170-211 - libgromacs_mpi.so.7 [...]+		0.02	0.03	0.01	50	0.01	0.01		42.00
►Loop 4477 - threaded_force_buffer.cpp:207-211 - libgromacs_mpi.so.7 [...]+		0.09	0.12	0.07	52	0.03	0.02		42.00
○Loop 4478 - threaded_force_buffer.cpp:209-211 - libgromacs_mpi.so.7 [...]		0.23	0.32	0.16	52	0.10	0.07		26.06
○Loop 4479 - threaded_force_buffer.cpp:209-211 - libgromacs_mpi.so.7 [...]		0.14	0.25	0.1	52	0.09	0.07		32.00
○Loop 4482 - threaded_force_buffer.cpp:182-186 - libgromacs_mpi.so.7 [...]		0.07	0.09	0.05	52	0.02	0.02		11.60
○Loop 4480 - threaded_force_buffer.cpp:200-200 - libgromacs_mpi.so.7 [...]		0.02	0.1	0.01	37	0.03	0.02		20.00
○Loop 4481 - threaded_force_buffer.cpp:182-186 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○kmp_flag_native<unsigned long long, (flag_type)1, true>::notdone_check()	libiomp5.so	0.55	0.58	0.41	52	0.09	0.07	OMP (%): 100.00	0.00
►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	0.52	0.51	0.38	52	0.06	0.05	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	70.74	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○Loop 13719 - update.cpp:481-481 - libgromacs_mpi.so.7 [...]		0.45	0.43	0.33	52	0.06	0.04		69.82
○Loop 13718 - update.cpp:361-387 - libgromacs_mpi.so.7 [...]		0.07	0.08	0.05	52	0.02	0.02		76.80
○Loop 13702 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13713 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►Loop 13727 - update.cpp:1291-1332 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 13728 - update.cpp:1291-1332 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13720 - update.cpp:368-387 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13715 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13704 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13705 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13708 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13712 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13729 - update.cpp:1137-1190 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13717 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13711 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13716 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►Loop 13723 - update.cpp:361-387 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 13722 - update.cpp:368-387 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13710 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13732 - update.cpp:893-914 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13721 - update.cpp:361-387 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13714 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13707 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13709 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13731 - update.cpp:949-965 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13703 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13724 - update.cpp:361-387 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13706 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13730 - update.cpp:1137-1190 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►Loop 13726 - update.cpp:361-387 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 13725 - update.cpp:368-387 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○mkl_dft_avx512_mg_rowbatch_plain_bwd_096_s	libmkl_avx512.so.2	0.49	0.6	0.36	52	0.11	0.08	Math (%): 100.00	781.33
►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	0.48	0.6	0.35	52	0.10	0.07	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	272.91	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○Loop 14751 - bonded.cpp:1151-1170 - libgromacs_mpi.so.7 [...]		0.48	0.6	0.35	52	0.10	0.07		272.91
►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	0.45	0.45	0.33	52	0.08	0.06	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	568.85	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○Loop 14760 - bonded.cpp:2066-2126 - libgromacs_mpi.so.7 [...]		0.45	0.45	0.33	52	0.08	0.06		568.85
►nbnxn_kernel_prune_2xnn(NbnxnPairlistCpu, nbnxn_atomdata_t const, gmx::ArrayRef<gmx::BasicVector<float> const>, float)+	libgromacs_mpi.so.7	0.44	0.39	0.32	52	0.05	0.03	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	1743.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 1542 - kernel_prune.cpp:76-158 - libgromacs_mpi.so.7 [...]+		0.01	0.03	0.01	52	0.01	0.01		2000.00
○Loop 1543 - kernel_prune.cpp:109-149 - libgromacs_mpi.so.7 [...]		0.42	0.38	0.31	52	0.05	0.03		1734.71
►__intel_avx_rep_memset+	gmx_mpi	0.43	0.55	0.31	52	0.12	0.09	Memory (%): 100.00	0.00
○Loop 88 - - gmx_mpi		0	0	0	13	0.00	0.00		0.00
○mkl_dft_avx512_mg_rowbatch_plain_fwd_096_s	libmkl_avx512.so.2	0.39	0.36	0.28	52	0.05	0.04	Math (%): 100.00	991.72
►gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()+	libgromacs_mpi.so.7	0.36	0.47	0.27	52	0.12	0.09	/home/eoseret/GROMACS/install/icx/lib/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 /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○Loop 4536 - threaded_force_buffer.cpp:78-78 - libgromacs_mpi.so.7 [...]		0.35	0.46	0.26	52	0.12	0.09		0.00
○Loop 4535 - threaded_force_buffer.cpp:78-78 - libgromacs_mpi.so.7 [...]		0.01	0.02	0	32	0.00	0.00		0.00
○Loop 4526 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 4534 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 4527 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.7		0	0	0	1	0.00	0.00		0.00
○Loop 4532 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 4525 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.7		0	0	0	1	0.00	0.00		0.00
○Loop 4530 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 4528 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 4529 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 4533 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 4531 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►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	0.31	0.31	0.23	52	0.06	0.04	/home/eoseret/GROMACS/install/icx/lib/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 /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○Loop 13734 - update.cpp:1637-1641 - libgromacs_mpi.so.7 [...]		0.31	0.31	0.23	52	0.06	0.04		0.00
○Loop 13733 - update.cpp:1637-1641 - libgromacs_mpi.so.7 [...]		0	0	0	4	0.00	0.00		0.00
►copy_rvec_to_nbat_real(int const, int, int, float const () [3], int, float*, int)+	libgromacs_mpi.so.7	0.27	0.4	0.19	39	0.13	0.10	/home/eoseret/GROMACS/install/icx/lib/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 /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○Loop 1554 - atomdata.cpp:226-233 - libgromacs_mpi.so.7		0.26	0.39	0.19	36	0.09	0.06		0.00
○Loop 1552 - atomdata.cpp:240-247 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 1551 - atomdata.cpp:172-177 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 1553 - atomdata.cpp:240-247 - libgromacs_mpi.so.7		0	0	0	1	0.00	0.00		0.00
○Loop 1559 - atomdata.cpp:154-158 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 1549 - atomdata.cpp:180-184 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 1550 - atomdata.cpp:180-184 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 1557 - atomdata.cpp:193-200 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 1555 - atomdata.cpp:207-214 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 1556 - atomdata.cpp:207-214 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 1558 - atomdata.cpp:161-163 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►void do_pairs_simple<gmx::SimdFloat, 16, float const>(int, int const, t_iparams const, float const () [3], float () [4], float const, gmx::ArrayRef<float>, float)+	libgromacs_mpi.so.7	0.27	0.31	0.2	52	0.05	0.04	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	204.35	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○Loop 14979 - pairs.cpp:863-884 - libgromacs_mpi.so.7 [...]		0.27	0.31	0.2	52	0.05	0.04		204.15
►unwrap_periodic_pmegrid(gmx_pme_t, float) [clone .extracted]+	libgromacs_mpi.so.7	0.2	0.21	0.15	52	0.07	0.05	/home/eoseret/GROMACS/install/icx/lib/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 /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 15188 - pme_grid.cpp:529-539 - libgromacs_mpi.so.7+		0	0	0	4	0.00	0.00		0.00
►Loop 15189 - pme_grid.cpp:535-539 - libgromacs_mpi.so.7+		0	0.02	0	27	0.00	0.00		0.00
○Loop 15190 - pme_grid.cpp:537-539 - libgromacs_mpi.so.7		0.19	0.21	0.14	52	0.07	0.05		0.00
○Loop 15191 - pme_grid.cpp:537-539 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►pbc_dx_aiuc(t_pbc const, float const, float const, float)+	libgromacs_mpi.so.7	0.19	0.23	0.14	52	0.04	0.03	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	74.36	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 4783 - pbc.cpp:823-1006 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 4784 - pbc.cpp:993-997 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 4793 - pbc.cpp:852-854 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 4790 - pbc.cpp:860-862 - libgromacs_mpi.so.7		0	0	0	3	0.00	0.00		0.00
○Loop 4789 - pbc.cpp:899-903 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 4786 - pbc.cpp:939-941 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 4787 - pbc.cpp:947-949 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 4785 - pbc.cpp:947-949 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 4791 - pbc.cpp:852-854 - libgromacs_mpi.so.7		0	0	0	2	0.00	0.00		0.00
○Loop 4788 - pbc.cpp:939-941 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 4792 - pbc.cpp:860-862 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○mkl_dft_avx512_ipps_cFFTinv_64_32fc	libmkl_avx512.so.2	0.18	0.19	0.14	52	0.04	0.03	Math (%): 100.00	869.72
○_INTERNAL8eaaea23::__kmp_hyper_barrier_release(barrier_type, kmp_info, int, int, int, void)	libiomp5.so	0.15	0.77	0.11	52	0.21	0.15	OMP (%): 100.00	0.00
○_ZN12_GLOBAL__N_124do_dih_fup_noshiftf_simdEPKiS1_S1_S1_N3gmx9SimdFloatES3_S3_S3_S3_S3_S3_S3_PA4_f@@608	libgromacs_mpi.so.7	0.15	0.18	0.11	52	0.04	0.03	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	376.73	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►reduceForces(nbnxn_atomdata_t, gmx::AtomLocality, Nbnxm::GridSet const&, float () [3]) [clone .extracted]+	libgromacs_mpi.so.7	0.14	0.16	0.1	52	0.03	0.02	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	43.30	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 1613 - atomdata.cpp:1149-1268 - libgromacs_mpi.so.7 [...]+		0	0.01	0	8	0.00	0.00		0.00
○Loop 1616 - atomdata.cpp:1173-1179 - libgromacs_mpi.so.7 [...]		0.14	0.16	0.1	52	0.03	0.02		43.30
○Loop 1615 - atomdata.cpp:1163-1169 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 1614 - atomdata.cpp:1153-1159 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○DftiComputeBackward	libmkl_intel_lp64.so.2	0.1	0.13	0.08	52	0.04	0.03	Math (%): 100.00	347.00
○evaluate_single(float, float, float const, float, float, float, float, float, float*)	libgromacs_mpi.so.7	0.08	0.1	0.06	52	0.03	0.02	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	41.17	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○__libm_atan2f_l9	gmx_mpi	0.08	0.11	0.06	52	0.03	0.02	Math (%): 100.00	41.83
○mkl_dft_avx512_owns_cCcsRecombine_32f	libmkl_avx512.so.2	0.07	0.09	0.05	52	0.02	0.02	Math (%): 100.00	759.20
○__libm_sincosf_e7	gmx_mpi	0.07	0.09	0.05	52	0.02	0.02	Exe (%): 100.00	43.60
►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	0.07	0.1	0.05	52	0.02	0.02	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	195.60	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○Loop 14807 - vec.h:141-335 - libgromacs_mpi.so.7 [...]		0.07	0.1	0.05	52	0.02	0.02		195.60
○DftiComputeForward	libmkl_intel_lp64.so.2	0.07	0.08	0.05	52	0.02	0.01	Math (%): 100.00	449.60
○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	0.06	0.08	0.05	52	0.02	0.02	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	89.20	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○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	0.06	0.08	0.04	52	0.02	0.02	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	87.50	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►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	0.06	0.08	0.04	50	0.02	0.02	/home/eoseret/GROMACS/install/icx/lib/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 /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 3664 - domdec_constraints.cpp:230-480 - libgromacs_mpi.so.7 [...]+		0	0	0	1	0.00	0.00		0.00
►Loop 3665 - stl_vector.h:378-1936 - libgromacs_mpi.so.7 [...]+		0.05	0.08	0.04	50	0.02	0.02		0.00
►Loop 3669 - ga2la.h:112-126 - libgromacs_mpi.so.7 [...]+		0.01	0.02	0.01	31	0.01	0.00		0.00
○Loop 3670 - hashedmap.h:277-282 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3666 - mtop_lookup.h:93-106 - libgromacs_mpi.so.7 [...]		0	0	0	1	0.00	0.00		0.00
►Loop 3667 - ga2la.h:112-126 - libgromacs_mpi.so.7 [...]+		0	0.01	0	7	0.00	0.00		0.00
○Loop 3668 - hashedmap.h:277-282 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○gmx_fft_1d(gmx_fft, gmx_fft_direction, void, void*)	libgromacs_mpi.so.7	0.06	0.1	0.05	52	0.03	0.02	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	734.40	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►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	0.06	0.08	0.04	52	0.02	0.02	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	38.25	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 14816 - bonded.cpp:1913-2011 - libgromacs_mpi.so.7 [...]+		0.02	0.05	0.01	52	0.01	0.01		71.00
○Loop 14817 - bonded.cpp:1913-2008 - libgromacs_mpi.so.7 [...]		0.04	0.06	0.03	52	0.02	0.01		27.33
○mkl_dft_avx512_ippsFFTFwd_RToPerm_32f	libmkl_avx512.so.2	0.05	0.12	0.04	52	0.03	0.02	Math (%): 100.00	292.25
►std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::rbdihs<(BondedKernelFlavor)0>(int, int const, t_iparams const, float const () [3], float () [4], float () [3], t_pbc const, float, float*...+	libgromacs_mpi.so.7	0.05	0.18	0.04	33	0.07	0.05	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	285.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 14761 - bonded.cpp:2179-2256 - libgromacs_mpi.so.7 [...]+		0.03	0.13	0.02	32	0.04	0.03		568.00
○Loop 14762 - bonded.cpp:2185-2213 - libgromacs_mpi.so.7 [...]		0.02	0.11	0.02	29	0.04	0.03		2.00
○bond_angle(float const, float const, float const, t_pbc const, float, float, float, int, int*)	libgromacs_mpi.so.7	0.04	0.06	0.03	52	0.02	0.01	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	68.33	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○kmp_flag_native<unsigned long long, (flag_type)1, true>::done_check()	libiomp5.so	0.04	0.19	0.03	31	0.08	0.06	OMP (%): 100.00	0.00
►copy_fftgrid_to_pmegrid(gmx_pme_t, float const, float*, int, int, int)+	libgromacs_mpi.so.7	0.04	0.06	0.03	52	0.02	0.01	/home/eoseret/GROMACS/install/icx/lib/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 /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 15152 - pme_grid.cpp:395-404 - libgromacs_mpi.so.7+		0.04	0.06	0.03	52	0.02	0.01		0.00
○Loop 15153 - pme_grid.cpp:402-404 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 15154 - pme_grid.cpp:402-404 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►do_pairs(int, int, int const, t_iparams const, float const () [3], float () [4], float () [3], t_pbc const, float const, float, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<bool>, gmx::ArrayRef<unsigned short>, ...+	libgromacs_mpi.so.7	0.04	0.06	0.03	52	0.02	0.01	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	127.67	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○Loop 14978 - vec.h:141-345 - libgromacs_mpi.so.7 [...]		0.04	0.06	0.03	52	0.02	0.01		127.67
○Loop 14977 - vec.h:141-345 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►rebalanceSimpleLists(gmx::ArrayRef<NbnxnPairlistCpu const>, gmx::ArrayRef<NbnxnPairlistCpu>, gmx::ArrayRef<PairsearchWork>) [clone .extracted]+	libgromacs_mpi.so.7	0.04	0.06	0.03	52	0.02	0.01	/home/eoseret/GROMACS/install/icx/lib/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 /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○Loop 3206 - pairlist.cpp:2891-2891 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3205 - pairlist.cpp:2891-2891 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►Loop 3207 - pairlist.cpp:3613-3728 - libgromacs_mpi.so.7 [...]+		0	0	0	4	0.00	0.00		0.00
►Loop 3208 - pairlist.cpp:3613-3728 - libgromacs_mpi.so.7 [...]+		0	0.01	0	17	0.00	0.00		0.00
○Loop 3210 - stl_vector.h:1280-1289 - libgromacs_mpi.so.7 [...]		0.02	0.04	0.02	49	0.01	0.01		0.00
○Loop 3209 - stl_vector.h:1280-1289 - libgromacs_mpi.so.7 [...]		0.01	0.03	0.01	41	0.01	0.01		0.00
○compute_mg_row_bwd	libmkl_avx512.so.2	0.04	0.05	0.03	52	0.01	0.01	Math (%): 100.00	112.00
►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	0.04	0.07	0.03	52	0.02	0.01	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	251.67	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 13413 - md_support.cpp:113-157 - libgromacs_mpi.so.7 [...]+		0	0	0	2	0.00	0.00		0.00
○Loop 13414 - md_support.cpp:139-157 - libgromacs_mpi.so.7 [...]		0.04	0.07	0.03	52	0.02	0.01		251.67
○unknown_kernel_region	kernel	0.04	0.12	0.03	52	0.02	0.02	System (%): 98.52 Math (%): 0.74 OMP (%): 0.74	6.67
○Unknown function	libgromacs_mpi.so.7	0.03	0.05	0.02	52	0.01	0.01	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	279.50
○compute_mg_row_fwd	libmkl_avx512.so.2	0.03	0.04	0.02	52	0.01	0.01	Math (%): 100.00	240.00
○mkl_dft_avx512_ippsFFTInv_CCSToR_32f	libmkl_avx512.so.2	0.03	0.04	0.02	51	0.01	0.01	Math (%): 100.00	440.00
○__libm_acosf_l9	gmx_mpi	0.03	0.04	0.02	52	0.01	0.01	Math (%): 100.00	5.50
►sum_forces(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> const>) [clone .extracted]+	libgromacs_mpi.so.7	0.03	0.04	0.02	52	0.01	0.01	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	48.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○Loop 13621 - sim_util.cpp:149-150 - libgromacs_mpi.so.7 [...]		0.03	0.04	0.02	52	0.01	0.01		48.00
►unwrap_periodic_pmegrid(gmx_pme_t, float) [clone .extracted.30]+	libgromacs_mpi.so.7	0.03	0.05	0.02	50	0.01	0.01	/home/eoseret/GROMACS/install/icx/lib/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 /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 15192 - pme_grid.cpp:512-522 - libgromacs_mpi.so.7+		0	0	0	3	0.00	0.00		0.00
►Loop 15193 - pme_grid.cpp:518-522 - libgromacs_mpi.so.7+		0	0	0	0	0.00	0.00		0.00
○Loop 15195 - pme_grid.cpp:520-522 - libgromacs_mpi.so.7		0.03	0.05	0.02	50	0.01	0.01		0.00
○Loop 15194 - pme_grid.cpp:520-522 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►void make_exclusions_zone<true>(gmx::ArrayRef<int const>, gmx_ga2la_t const&, gmx_domdec_zones_t const&, gmx::ArrayRef<MolblockIndices const>, std::vector<gmx_moltype_t, std::allocator<gmx_moltype_t> > const&, gmx:...+	libgromacs_mpi.so.7	0.03	0.05	0.02	50	0.01	0.01	/home/eoseret/GROMACS/install/icx/lib/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 /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 3797 - localtopology.cpp:737-787 - libgromacs_mpi.so.7 [...]+		0.01	0.02	0	30	0.00	0.00		0.00
►Loop 3801 - stl_vector.h:378-1899 - libgromacs_mpi.so.7 [...]+		0.02	0.05	0.01	47	0.01	0.01		0.00
○Loop 3802 - hashedmap.h:277-281 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3800 - stl_algobase.h:2070-2084 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►Loop 3798 - stl_vector.h:378-1899 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 3799 - hashedmap.h:277-282 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►calcBondedForces(InteractionDefinitions const&, bonded_threading_t, float const () [3], t_forcerec const, t_pbc const, float () [3], gmx_enerdata_t, t_nrnb, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, t_mdatoms const, t_fcdata...+	libgromacs_mpi.so.7	0.02	0.03	0.01	49	0.01	0.01	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	5.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 14913 - listed_forces.cpp:385-445 - libgromacs_mpi.so.7 [...]+		0	0.01	0	17	0.00	0.00		0.00
►Loop 14915 - utilities.h:56-57 - libgromacs_mpi.so.7 [...]+		0.01	0.02	0.01	30	0.01	0.00		0.00
○Loop 14914 - utilities.h:56-57 - libgromacs_mpi.so.7 [...]		0.01	0.02	0	37	0.00	0.00		0.00
○__kmp_barrier	libiomp5.so	0.02	0.04	0.01	46	0.01	0.01	OMP (%): 100.00	0.00
►calc_vir(int, float const () [3], float const () [3], float () [3], bool, float const () [3]) [clone .extracted]+	libgromacs_mpi.so.7	0.02	0.03	0.02	51	0.01	0.01	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	156.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 12784 - calcvir.cpp:61-120 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 12785 - calcvir.cpp:61-81 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►Loop 12782 - calcvir.cpp:61-120 - libgromacs_mpi.so.7 [...]+		0	0	0	1	0.00	0.00		0.00
○Loop 12783 - calcvir.cpp:61-67 - libgromacs_mpi.so.7 [...]		0.02	0.03	0.02	51	0.01	0.01		156.00
►atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*) [clone .extracted]+	libgromacs_mpi.so.7	0.02	0.04	0.01	51	0.01	0.01	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	3.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 13420 - mdatoms.cpp:327-497 - libgromacs_mpi.so.7 [...]+		0.02	0.04	0.01	50	0.01	0.01		1.00
○Loop 13419 - mtop_lookup.h:93-106 - libgromacs_mpi.so.7 [...]		0	0.01	0	9	0.00	0.00		0.00
►quicksort+	gmx_mpi	0.02	0.04	0.02	50	0.01	0.01	Exe (%): 100.00	4.00
►Loop 80 - - gmx_mpi+		0.01	0.02	0	28	0.01	0.00		0.00
○Loop 81 - - gmx_mpi		0.01	0.02	0.01	35	0.01	0.01		8.00
○gmx_fft_1d_real(gmx_fft, gmx_fft_direction, void, void*)	libgromacs_mpi.so.7	0.02	0.03	0.01	51	0.01	0.01	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	672.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○__kmpc_for_static_init_4	libiomp5.so	0.02	0.04	0.01	48	0.01	0.01	OMP (%): 100.00	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	0.02	0.09	0.01	31	0.03	0.02	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	92.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○Loop 14765 - bonded.cpp:196-2327 - libgromacs_mpi.so.7 [...]		0.01	0.09	0.01	29	0.03	0.02		90.00
►int assignInteractionsForAtom<true>(AtomIndexSet const&, reverse_ilist_t const&, gmx_ga2la_t const&, gmx_domdec_zones_t const&, bool, int const, bool, float, t_pbc const, gmx::ArrayRef<gmx::BasicVector<float> const>, Int...+	libgromacs_mpi.so.7	0.02	0.04	0.02	44	0.01	0.01	/home/eoseret/GROMACS/install/icx/lib/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 /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 3809 - hashedmap.h:274-281 - libgromacs_mpi.so.7 [...]+		0.01	0.04	0.01	32	0.01	0.01		0.00
►Loop 3812 - stl_vector.h:1145-1145 - libgromacs_mpi.so.7 [...]+		0.01	0.02	0	26	0.01	0.00		0.00
○Loop 3813 - hashedmap.h:277-281 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3811 - idef.h:245-247 - libgromacs_mpi.so.7		0	0.01	0	17	0.00	0.00		0.00
○Loop 3810 - idef.h:245-247 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3814 - hashedmap.h:277-281 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○__kmp_join_barrier(int)	libiomp5.so	0.02	0.04	0.02	52	0.01	0.01	OMP (%): 100.00	0.00
○__kmp_init_implicit_task	libiomp5.so	0.02	0.04	0.02	48	0.01	0.01	OMP (%): 100.00	0.00
○__kmp_launch_thread	libiomp5.so	0.02	0.05	0.01	48	0.01	0.01	OMP (%): 100.00	0.00
►gmx_fft_many_1d(gmx_fft, gmx_fft_direction, void, void*)+	libgromacs_mpi.so.7	0.02	0.03	0.01	52	0.01	0.01	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	944.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○Loop 15412 - fft.cpp:115-123 - libgromacs_mpi.so.7		0.01	0.03	0.01	51	0.01	0.01		864.00
○energyDriftAtomPair(bool, bool, float, float, float, float, pot_derivatives_t const*)	libgromacs_mpi.so.7	0.02	0.59	0.01	1	0.00	0.00	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	112.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○mkl_serv_verbose_mode	libmkl_core.so.2	0.02	0.04	0.01	51	0.01	0.01	Math (%): 100.00	0.00
○compute_1d_small_fwd	libmkl_avx512.so.2	0.02	0.03	0.01	52	0.01	0.01	Math (%): 100.00	688.00
○mkl_dft_avx512_ippsDFTInv_CCSToR_32f	libmkl_avx512.so.2	0.02	0.04	0.01	50	0.01	0.01	Math (%): 100.00	96.00
○compute_1d_small_bwd	libmkl_avx512.so.2	0.02	0.03	0.01	52	0.01	0.01	Math (%): 100.00	736.00
○mkl_dft_avx512_ippsDFTFwd_RToCCS_32f	libmkl_avx512.so.2	0.02	0.04	0.02	52	0.01	0.01	Math (%): 100.00	264.00
►gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef<float const>, float, bool, t_commrec const, gmx::Lincs)+	libgromacs_mpi.so.7	0.01	0.22	0	1	0.00	0.00	/home/eoseret/GROMACS/install/icx/lib/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 /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○Loop 13307 - stl_uninitialized.h:1099-1099 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13293 - lincs.cpp:2229-2231 - libgromacs_mpi.so.7		0	0	0	1	0.00	0.00		0.00
○Loop 13310 - stl_uninitialized.h:1099-1099 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►Loop 13294 - lincs.cpp:1773-2181 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 13295 - lincs.cpp:2166-2172 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►Loop 13296 - lincs.cpp:1773-2151 - libgromacs_mpi.so.7 [...]+		0	0.08	0	1	0.00	0.00		0.00
►Loop 13297 - lincs.cpp:1874-1981 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 13299 - lincs.cpp:1895-1981 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13298 - lincs.cpp:1895-1899 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 13301 - lincs.cpp:1884-1981 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13300 - lincs.cpp:1884-1888 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 13302 - lincs.cpp:1851-1869 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13303 - lincs.cpp:1776-1828 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13304 - lincs.cpp:1776-1828 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13305 - lincs.cpp:2079-2081 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 13309 - stl_uninitialized.h:1099-1099 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13306 - lincs.cpp:2079-2081 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 13292 - lincs.cpp:2229-2231 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 13281 - lincs.cpp:1678-1678 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13308 - stl_uninitialized.h:1099-1099 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13291 - stl_algobase.h:918-919 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 13311 - stl_uninitialized.h:1099-1099 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13312 - stl_vector.h:1603-1936 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13289 - stl_algobase.h:918-919 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►Loop 13283 - lincs.cpp:1624-1981 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 13284 - lincs.cpp:1629-1632 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13285 - lincs.cpp:1629-1632 - libgromacs_mpi.so.7 [...]		0	0.05	0	1	0.00	0.00		0.00
○Loop 13282 - lincs.cpp:1678-1678 - libgromacs_mpi.so.7 [...]		0	0.05	0	1	0.00	0.00		0.00
►Loop 13278 - lincs.cpp:1683-1981 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 13280 - lincs.cpp:1688-1691 - libgromacs_mpi.so.7 [...]		0	0	0	1	0.00	0.00		0.00
○Loop 13279 - lincs.cpp:1688-1691 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13290 - stl_algobase.h:918-919 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 13286 - lincs.cpp:1614-1614 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►Loop 13276 - lincs.cpp:1729-1747 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 13277 - stl_vector.h:378-1899 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13287 - lincs.cpp:1614-1614 - libgromacs_mpi.so.7 [...]		0	0.04	0	1	0.00	0.00		0.00
○Loop 13288 - stl_algobase.h:918-919 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►std::vector<std::array<unsigned long, 2ul>, std::allocator<std::array<unsigned long, 2ul> > >::_M_fill_insert(__gnu_cxx::__normal_iterator<std::array<unsigned long, 2ul>*, std::vector<std::array<unsigned long, 2ul>...+	libgromacs_mpi.so.7	0.01	0.02	0.01	39	0.01	0.00	/home/eoseret/GROMACS/install/icx/lib/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 /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○Loop 3230 - stl_algobase.h:918-919 - libgromacs_mpi.so.7		0.01	0.02	0.01	38	0.01	0.00		0.00
○Loop 3232 - stl_algobase.h:918-919 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3233 - stl_algobase.h:918-919 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3227 - stl_algobase.h:918-919 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3229 - stl_algobase.h:918-919 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3228 - stl_algobase.h:918-919 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3234 - stl_algobase.h:918-919 - libgromacs_mpi.so.7		0	0	0	1	0.00	0.00		0.00
○Loop 3231 - stl_algobase.h:918-919 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►gmx::lincs_update_atoms(gmx::Lincs, int, float, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>, float () [3])+	libgromacs_mpi.so.7	0.01	0.02	0.01	33	0.01	0.01	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	5.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○Loop 13348 - lincs.cpp:368-383 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13347 - lincs.cpp:388-401 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►gmx::lincs_thread_setup(gmx::Lincs*, int) [clone .extracted]+	libgromacs_mpi.so.7	0.01	0.02	0	26	0.01	0.01	/home/eoseret/GROMACS/install/icx/lib/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 /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 13363 - lincs.cpp:1695-1715 - libgromacs_mpi.so.7 [...]+		0	0	0	1	0.00	0.00		0.00
○Loop 13364 - lincs.cpp:1705-1715 - libgromacs_mpi.so.7 [...]		0.01	0.02	0	25	0.01	0.01		0.00
►globalAtomIndexToMoltypeIndices(gmx::ArrayRef<MolblockIndices const>, int)+	libgromacs_mpi.so.7	0.01	0.02	0	29	0.00	0.00	/home/eoseret/GROMACS/install/icx/lib/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 /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○Loop 4089 - reversetopology.cpp:140-145 - libgromacs_mpi.so.7		0	0.01	0	12	0.00	0.00		0.00
►setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&)+	libgromacs_mpi.so.7	0.01	0.51	0.01	1	0.00	0.00	/home/eoseret/GROMACS/install/icx/lib/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 /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 14921 - manage_threading.cpp:114-177 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
►Loop 14924 - manage_threading.cpp:125-162 - libgromacs_mpi.so.7 [...]+		0.01	0.27	0.01	1	0.00	0.00		0.00
○Loop 14925 - manage_threading.cpp:144-146 - libgromacs_mpi.so.7		0.01	0.24	0	1	0.00	0.00		0.00
○Loop 14926 - manage_threading.cpp:144-146 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 14922 - manage_threading.cpp:175-177 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 14923 - manage_threading.cpp:175-177 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►Loop 14929 - manage_threading.cpp:195-292 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 14930 - manage_threading.cpp:247-247 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 14931 - manage_threading.cpp:247-247 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 14928 - utilities.h:57-57 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►Loop 14932 - manage_threading.cpp:260-274 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 14933 - manage_threading.cpp:270-274 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►Loop 14918 - manage_threading.cpp:306-320 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 14919 - manage_threading.cpp:313-318 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 14917 - utilities.h:57-57 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 14920 - manage_threading.cpp:313-318 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 14927 - manage_threading.cpp:91-99 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►unwrap_periodic_pmegrid(gmx_pme_t, float)+	libgromacs_mpi.so.7	0.01	0.42	0.01	1	0.00	0.00	/home/eoseret/GROMACS/install/icx/lib/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 /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 15167 - pme_grid.cpp:496-504 - libgromacs_mpi.so.7+		0	0	0	0	0.00	0.00		0.00
►Loop 15168 - pme_grid.cpp:500-504 - libgromacs_mpi.so.7+		0	0	0	1	0.00	0.00		0.00
○Loop 15170 - pme_grid.cpp:502-504 - libgromacs_mpi.so.7		0.01	0.42	0.01	1	0.00	0.00		0.00
○Loop 15169 - pme_grid.cpp:502-504 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►Nbnxm::Grid::sortColumnsCpuGeometry(Nbnxm::GridSetData, int, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, nbnxn_atomdata_t, gmx::Range<int>, gmx::ArrayRef<int>)+	libgromacs_mpi.so.7	0.01	0.02	0	28	0.01	0.00	/home/eoseret/GROMACS/install/icx/lib/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 /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 1697 - grid.cpp:1032-1093 - libgromacs_mpi.so.7 [...]+		0	0	0	4	0.00	0.00		0.00
○Loop 1699 - grid.cpp:1068-1087 - libgromacs_mpi.so.7 [...]		0.01	0.02	0	25	0.01	0.00		0.00
○Loop 1698 - grid.cpp:1091-1093 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○void __kmp_dispatch_deo<unsigned int>(int, int, ident*)	libiomp5.so	0.01	0.02	0.01	41	0.01	0.00	OMP (%): 100.00	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	0.01	44	0.01	0.01	/home/eoseret/GROMACS/install/icx/lib/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 /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○Loop 3833 - stl_algobase.h:386-388 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3835 - stl_algobase.h:386-388 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3831 - stl_algobase.h:386-388 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3830 - stl_algobase.h:386-388 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3834 - stl_algobase.h:386-388 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3832 - stl_algobase.h:386-388 - libgromacs_mpi.so.7		0	0	0	5	0.00	0.00		0.00
○mm_account_ptr_by_tid	libmkl_core.so.2	0.01	0	0	46	0.00	0.00	Math (%): 100.00	0.00
○mkl_serv_verbose_mode@plt	libmkl_intel_lp64.so.2	0.01	0.02	0	36	0.00	0.00	Math (%): 100.00	0.00
○__kmpc_barrier	libiomp5.so	0.01	0.02	0	32	0.01	0.00	OMP (%): 100.00	0.00
►gmx::set_lincs_matrix(gmx::Lincs*, gmx::ArrayRef<float const>, float) [clone .extracted]+	libgromacs_mpi.so.7	0.01	0.03	0.01	44	0.01	0.01	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	9.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 13367 - lincs.cpp:1248-1353 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
►Loop 13368 - lincs.cpp:1251-1324 - libgromacs_mpi.so.7 [...]+		0	0.01	0	8	0.00	0.00		0.00
►Loop 13369 - lincs.cpp:1255-1324 - libgromacs_mpi.so.7 [...]+		0.01	0.03	0.01	43	0.01	0.01		9.00
○Loop 13370 - lincs.cpp:1291-1324 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►gmx::ThreadForceBuffer<float [4]>::resizeBufferAndClearMask(int)+	libgromacs_mpi.so.7	0.01	0.01	0	30	0.00	0.00	/home/eoseret/GROMACS/install/icx/lib/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 /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○Loop 4523 - threaded_force_buffer.cpp:122-122 - libgromacs_mpi.so.7 [...]		0.01	0.01	0	29	0.00	0.00		0.00
○Loop 4522 - threaded_force_buffer.cpp:122-122 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►set_pbc_simd(t_pbc const, float)+	libgromacs_mpi.so.7	0.01	0.02	0.01	37	0.01	0.00	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	8.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○Loop 4851 - pbc_simd.cpp:59-61 - libgromacs_mpi.so.7		0	0	0	9	0.00	0.00		0.00
○Loop 4850 - pbc_simd.cpp:59-61 - libgromacs_mpi.so.7		0	0	0	2	0.00	0.00		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	0.01	0.49	0.01	1	0.00	0.00	/home/eoseret/GROMACS/install/icx/lib/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 /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 3910 - partition.cpp:3219-3241 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
►Loop 3911 - partition.cpp:3219-3233 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 3913 - domdec_internal.h:253-255 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3912 - domdec_internal.h:253-255 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3904 - partition.cpp:611-620 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3950 - partition.cpp:421-431 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►Loop 3981 - partition.cpp:662-913 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 3996 - partition.cpp:871-899 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3999 - partition.cpp:871-906 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3998 - partition.cpp:871-906 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3982 - partition.cpp:871-874 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3987 - partition.cpp:871-890 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3993 - partition.cpp:871-899 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3985 - partition.cpp:871-890 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3992 - partition.cpp:871-906 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 4000 - partition.cpp:871-906 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3995 - partition.cpp:871-899 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3988 - partition.cpp:871-894 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3984 - partition.cpp:871-906 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3997 - partition.cpp:871-906 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3994 - partition.cpp:871-899 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3990 - partition.cpp:871-906 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3991 - partition.cpp:871-906 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3989 - partition.cpp:871-906 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3983 - partition.cpp:871-874 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3986 - partition.cpp:871-894 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3947 - partition.cpp:447-2607 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►Loop 3942 - partition.cpp:1505-1515 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 3943 - partition.cpp:1510-1515 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3944 - stl_algobase.h:262-262 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3916 - partition.cpp:2202-2204 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►Loop 3877 - hashedmap.h:130-296 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 3878 - hashedmap.h:290-293 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►Loop 3879 - ga2la.h:154-158 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 3880 - ga2la.h:156-158 - libgromacs_mpi.so.7 [...]		0	0.02	0	1	0.00	0.00		0.00
○Loop 3909 - partition.cpp:551-565 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►Loop 3951 - partition.cpp:171-380 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 3965 - partition.cpp:186-198 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►Loop 3952 - partition.cpp:174-380 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 3961 - partition.cpp:272-295 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3958 - partition.cpp:306-339 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3959 - partition.cpp:272-272 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3953 - partition.cpp:371-375 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3960 - partition.cpp:272-295 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3957 - partition.cpp:306-339 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3962 - partition.cpp:272-295 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3956 - partition.cpp:306-339 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3955 - partition.cpp:347-351 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3954 - partition.cpp:357-359 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►Loop 3963 - partition.cpp:174-247 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 3964 - partition.cpp:243-247 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3948 - partition.cpp:445-447 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3946 - stl_uninitialized.h:1099-1099 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3980 - partition.cpp:927-931 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3905 - partition.cpp:611-620 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3949 - partition.cpp:445-447 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3914 - partition.cpp:3196-3198 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►Loop 3976 - hashedmap.h:229-255 - libgromacs_mpi.so.7 [...]+		0	0.15	0	1	0.00	0.00		0.00
○Loop 3977 - hashedmap.h:232-255 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3966 - partition.cpp:150-163 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►Loop 3918 - partition.cpp:1355-2185 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
►Loop 3919 - partition.cpp:1416-1422 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 3920 - partition.cpp:1418-1422 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3921 - partition.cpp:1418-1422 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►Loop 3922 - partition.cpp:1355-2178 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 3937 - partition.cpp:2091-2095 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►Loop 3933 - partition.cpp:2146-2160 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
►Loop 3935 - utility.h:89-96 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 3934 - utility.h:89-89 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►Loop 3926 - partition.cpp:1356-1382 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
►Loop 3927 - partition.cpp:1371-1382 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 3928 - partition.cpp:1380-1382 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3929 - partition.cpp:1375-1377 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3930 - partition.cpp:1375-1377 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3931 - partition.cpp:1364-1368 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3932 - partition.cpp:1364-1368 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►Loop 3923 - partition.cpp:1391-1406 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
►Loop 3925 - utility.h:89-96 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 3924 - utility.h:89-89 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►Loop 3938 - partition.cpp:1959-2075 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 3939 - partition.cpp:2063-2075 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►Loop 3940 - partition.cpp:1968-1984 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 3941 - partition.cpp:1973-1981 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3936 - partition.cpp:2091-2095 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3917 - partition.cpp:1924-1926 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►Loop 3906 - ga2la.h:112-114 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 3907 - hashedmap.h:277-282 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3974 - partition.cpp:465-467 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►Loop 3969 - utility.h:89-96 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 3968 - utility.h:89-89 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3908 - partition.cpp:551-565 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3973 - partition.cpp:445-447 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3915 - partition.cpp:2213-2217 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►Loop 3971 - utility.h:89-96 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 3970 - utility.h:89-89 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3967 - partition.cpp:722-729 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3979 - partition.cpp:927-931 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►Loop 3875 - partition.cpp:445-3135 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
►Loop 3876 - new_allocator.h:147-168 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 3888 - partition.cpp:2517-2519 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3882 - stl_algobase.h:386-388 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3881 - stl_algobase.h:386-388 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3887 - partition.cpp:2517-2519 - libgromacs_mpi.so.7 [...]		0	0.03	0	1	0.00	0.00		0.00
○Loop 3901 - partition.cpp:2552-2557 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3900 - partition.cpp:2517-2519 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3890 - stl_algobase.h:386-388 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3884 - partition.cpp:2517-2519 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3891 - partition.cpp:2517-2519 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3889 - stl_algobase.h:386-388 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3883 - partition.cpp:2517-2519 - libgromacs_mpi.so.7 [...]		0	0.05	0	1	0.00	0.00		0.00
○Loop 3894 - stl_algobase.h:386-388 - libgromacs_mpi.so.7		0	0.04	0	1	0.00	0.00		0.00
○Loop 3892 - partition.cpp:2517-2519 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3896 - partition.cpp:2517-2519 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 3895 - partition.cpp:2517-2519 - libgromacs_mpi.so.7 [...]		0	0.07	0	1	0.00	0.00		0.00
○Loop 3885 - stl_algobase.h:386-388 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3893 - stl_algobase.h:386-388 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3903 - partition.cpp:447-447 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3898 - stl_algobase.h:386-388 - libgromacs_mpi.so.7		0	0.02	0	1	0.00	0.00		0.00
○Loop 3897 - stl_algobase.h:386-388 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3899 - partition.cpp:2517-2519 - libgromacs_mpi.so.7 [...]		0	0.07	0	1	0.00	0.00		0.00
○Loop 3902 - partition.cpp:2552-2557 - libgromacs_mpi.so.7 [...]		0	0.02	0	1	0.00	0.00		0.00
○Loop 3886 - stl_algobase.h:386-388 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3972 - partition.cpp:447-447 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3978 - partition.cpp:1178-1182 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3975 - partition.cpp:465-467 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 3945 - new_allocator.h:168-168 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○std::vector<int, std::allocator<int> >::_M_default_append(unsigned long)	libgromacs_mpi.so.7	0.01	0.06	0.01	32	0.02	0.01	/home/eoseret/GROMACS/install/icx/lib/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 /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○__kmpc_for_static_fini	libiomp5.so	0.01	0.02	0	32	0.01	0.00	OMP (%): 100.00	0.00
►Nbnxm::Grid::fillCell(Nbnxm::GridSetData, nbnxn_atomdata_t, int, int, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, Nbnxm::BoundingBox*)+	libgromacs_mpi.so.7	0.01	0.03	0.01	31	0.01	0.01	/home/eoseret/GROMACS/install/icx/lib/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 /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○Loop 1681 - grid.cpp:598-605 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 1682 - grid.cpp:633-633 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 1685 - grid.cpp:476-483 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 1691 - grid.cpp:911-915 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 1679 - grid.cpp:531-536 - libgromacs_mpi.so.7 [...]		0	0	0	3	0.00	0.00		0.00
○Loop 1687 - grid.cpp:504-509 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 1689 - grid.cpp:921-923 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 1684 - grid.cpp:476-483 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 1690 - grid.cpp:911-915 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 1692 - grid.cpp:911-915 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 1678 - grid.cpp:531-536 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 1680 - grid.cpp:598-605 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►Loop 1693 - grid.cpp:816-889 - libgromacs_mpi.so.7 [...]+		0	0	0	2	0.00	0.00		0.00
○Loop 1695 - grid.cpp:855-857 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 1696 - grid.cpp:823-834 - libgromacs_mpi.so.7		0	0.02	0	21	0.01	0.01		0.00
○Loop 1694 - grid.cpp:855-857 - libgromacs_mpi.so.7		0	0	0	1	0.00	0.00		0.00
○Loop 1683 - grid.cpp:633-633 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 1686 - grid.cpp:504-509 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 1688 - grid.cpp:921-923 - libgromacs_mpi.so.7		0	0	0	5	0.00	0.00		0.00
►setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&) [clone .extracted]+	libgromacs_mpi.so.7	0.01	0.02	0.01	40	0.01	0.01	/home/eoseret/GROMACS/install/icx/lib/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 /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 14934 - manage_threading.cpp:336-397 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 14937 - manage_threading.cpp:351-351 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►Loop 14936 - manage_threading.cpp:351-367 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 14935 - utilities.h:57-57 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►Loop 14938 - manage_threading.cpp:363-367 - libgromacs_mpi.so.7 [...]+		0	0.02	0	20	0.00	0.00		0.00
○Loop 14939 - manage_threading.cpp:365-367 - libgromacs_mpi.so.7 [...]		0.01	0.02	0.01	34	0.01	0.00		0.00
○Loop 14940 - manage_threading.cpp:365-367 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○__kmp_invoke_task_func	libiomp5.so	0.01	0.02	0.01	39	0.01	0.01	OMP (%): 100.00	0.00
►nbnxn_atomdata_copy_x_to_nbat_x(Nbnxm::GridSet const&, gmx::AtomLocality, float const () [3], nbnxn_atomdata_t) [clone .extracted]+	libgromacs_mpi.so.7	0.01	0.02	0	31	0.01	0.00	/home/eoseret/GROMACS/install/icx/lib/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 /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 1610 - atomdata.cpp:993-1015 - libgromacs_mpi.so.7 [...]+		0	0	0	3	0.00	0.00		0.00
►Loop 1611 - atomdata.cpp:998-1015 - libgromacs_mpi.so.7 [...]+		0	0	0	12	0.00	0.00		0.00
○Loop 1612 - atomdata.cpp:1006-1015 - libgromacs_mpi.so.7 [...]		0	0.01	0	19	0.00	0.00		0.00
○__kmp_finish_implicit_task	libiomp5.so	0.01	0.02	0.01	41	0.01	0.01	OMP (%): 100.00	16.00
○__sched_yield	libc.so.6	0.01	0.03	0.01	43	0.01	0.01	System (%): 100.00	0.00
○__nss_database_lookup	libc.so.6	0.01	0.32	0.01	2	0.30	0.22	Others (%): 100.00	0.00
►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	0.02	0.01	45	0.01	0.01	/home/eoseret/GROMACS/install/icx/lib/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 /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 3793 - localtopology.cpp:103-700 - libgromacs_mpi.so.7 [...]+		0.01	0.02	0.01	40	0.01	0.00		0.00
○Loop 3794 - stl_algo.h:574-579 - libgromacs_mpi.so.7 [...]		0	0.01	0	17	0.00	0.00		0.00
○__kmp_invoke_microtask	libiomp5.so	0.01	0.02	0.01	40	0.01	0.01	OMP (%): 100.00	0.00
►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	0.01	34	0.01	0.00	/home/eoseret/GROMACS/install/icx/lib/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 /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○Loop 4082 - redistribute.cpp:543-548 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►Loop 4076 - redistribute.cpp:74-428 - libgromacs_mpi.so.7 [...]+		0	0.01	0	13	0.00	0.00		0.00
○Loop 4077 - redistribute.cpp:74-306 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►Loop 4078 - vec.h:141-198 - libgromacs_mpi.so.7 [...]+		0	0.02	0	27	0.00	0.00		0.00
○Loop 4079 - redistribute.cpp:419-419 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 4080 - redistribute.cpp:414-414 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 4081 - redistribute.cpp:358-360 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►Loop 4083 - redistribute.cpp:74-532 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 4084 - redistribute.cpp:74-306 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►Loop 4085 - vec.h:141-199 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 4086 - redistribute.cpp:521-521 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 4087 - redistribute.cpp:517-517 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 4088 - redistribute.cpp:481-483 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		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	0.01	38	0.01	0.00	/home/eoseret/GROMACS/install/icx/lib/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 /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 13351 - lincs.cpp:1936-2210 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
►Loop 13352 - lincs.cpp:1936-2210 - libgromacs_mpi.so.7 [...]+		0	0.01	0	25	0.00	0.00		0.00
○Loop 13362 - lincs.cpp:1942-1947 - libgromacs_mpi.so.7 [...]		0	0	0	5	0.00	0.00		0.00
►Loop 13353 - stl_algobase.h:423-749 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 13354 - stl_algo.h:1799-1801 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13360 - lincs.cpp:1950-1955 - libgromacs_mpi.so.7 [...]		0	0	0	2	0.00	0.00		0.00
►Loop 13355 - stl_algo.h:1796-1839 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 13356 - stl_algo.h:1799-1801 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►Loop 13357 - stl_algobase.h:423-749 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
○Loop 13358 - stl_algo.h:1799-1801 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 13361 - lincs.cpp:1942-1947 - libgromacs_mpi.so.7 [...]		0	0.01	0	20	0.00	0.00		0.00
○Loop 13359 - lincs.cpp:1950-1955 - libgromacs_mpi.so.7 [...]		0	0	0	6	0.00	0.00		0.00
►gmx_fft_many_1d_real(gmx_fft, gmx_fft_direction, void, void*)+	libgromacs_mpi.so.7	0.01	0.02	0.01	49	0.01	0.01	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	960.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○Loop 15413 - fft.cpp:132-140 - libgromacs_mpi.so.7		0.01	0.02	0.01	48	0.01	0.01		960.00
○mkl_dft_avx512_transfer_ipp_mkl_error	libmkl_avx512.so.2	0.01	0.01	0	42	0.01	0.00	Math (%): 100.00	0.00
►gmx::ThreadedForceBuffer<float [4]>::setupReduction()+	libgromacs_mpi.so.7	0.01	0.29	0.01	1	0.00	0.00	/home/eoseret/GROMACS/install/icx/lib/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 /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○Loop 4543 - threaded_force_buffer.cpp:257-261 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
►Loop 4538 - new_allocator.h:147-187 - libgromacs_mpi.so.7 [...]+		0	0.01	0	1	0.00	0.00		0.00
○Loop 4541 - threaded_force_buffer.cpp:278-278 - libgromacs_mpi.so.7 [...]		0.01	0.28	0.01	1	0.00	0.00		0.00
○Loop 4540 - threaded_force_buffer.cpp:290-292 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 4539 - threaded_force_buffer.cpp:290-292 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○Loop 4542 - threaded_force_buffer.cpp:278-278 - libgromacs_mpi.so.7 [...]		0	0	0	0	0.00	0.00		0.00
○(anonymous namespace)::calc_one_bond(int, int, InteractionDefinitions const&, gmx::ArrayRef<int const>, int, WorkDivision const&, float const () [3], float () [4], float () [3], t_forcerec const, t_pbc const, gmx_grppairener_t, t_nrnb*,...	libgromacs_mpi.so.7	0.01	0.01	0	29	0.00	0.00	/home/eoseret/GROMACS/install/icx/lib/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 /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○__libm_erfcf_ex	gmx_mpi	0.01	0.28	0.01	1	0.00	0.00	Math (%): 100.00	52.00
►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	0.26	0.01	1	0.00	0.00	/home/eoseret/GROMACS/install/icx/lib/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 /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 3645 - domdec_constraints.cpp:314-375 - libgromacs_mpi.so.7 [...]+		0	0.14	0	1	0.00	0.00		0.00
○Loop 3646 - mtop_lookup.h:93-106 - libgromacs_mpi.so.7 [...]		0	0	0	1	0.00	0.00		0.00
►Loop 3647 - ga2la.h:112-126 - libgromacs_mpi.so.7 [...]+		0	0.12	0	1	0.00	0.00		0.00
○Loop 3648 - hashedmap.h:277-282 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○__libm_exp_l9	gmx_mpi	0.01	0.28	0.01	1	0.00	0.00	Math (%): 100.00	18.00
○_intel_fast_memcpy	gmx_mpi	0.01	0.02	0	28	0.01	0.00	Memory (%): 100.00	0.00
►nbnxn_kernel_cpu(PairlistSet const&, Nbnxm::KernelSetup const&, nbnxn_atomdata_t, interaction_const_t const&, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::StepWorkload const&, int, float, float, gmx_wallcycle) [clone ....+	libgromacs_mpi.so.7	0.01	0.02	0	30	0.00	0.00	/home/eoseret/GROMACS/install/icx/lib/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 /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 1761 - kerneldispatch.cpp:114-373 - libgromacs_mpi.so.7 [...]+		0	0.02	0	20	0.00	0.00		0.00
►Loop 1764 - kerneldispatch.cpp:114-126 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
►Loop 1763 - kerneldispatch.cpp:116-126 - libgromacs_mpi.so.7+		0	0	0	0	0.00	0.00		0.00
○Loop 1762 - kerneldispatch.cpp:118-126 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
►Loop 1767 - kerneldispatch.cpp:114-126 - libgromacs_mpi.so.7 [...]+		0	0	0	0	0.00	0.00		0.00
►Loop 1766 - kerneldispatch.cpp:116-126 - libgromacs_mpi.so.7+		0	0	0	0	0.00	0.00		0.00
○Loop 1765 - kerneldispatch.cpp:118-126 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○gmx_pme_do(gmx_pme_t*, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<flo...	libgromacs_mpi.so.7	0.01	0.01	0	27	0.00	0.00	/home/eoseret/GROMACS/install/icx/lib/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 /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►gmx::lincs_thread_setup(gmx::Lincs*, int) [clone .extracted.52]+	libgromacs_mpi.so.7	0.01	0.02	0.01	41	0.01	0.01	/home/eoseret/GROMACS/install/icx/lib/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 /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
►Loop 13365 - lincs.cpp:1636-1658 - libgromacs_mpi.so.7 [...]+		0	0	0	1	0.00	0.00		0.00
○Loop 13366 - stl_vector.h:378-1899 - libgromacs_mpi.so.7 [...]		0.01	0.02	0.01	41	0.01	0.01		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	0.01	0.04	0.01	34	0.01	0.01	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	1.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○Loop 1701 - grid.cpp:415-420 - libgromacs_mpi.so.7		0.01	0.02	0.01	31	0.01	0.00		0.00
►Loop 1704 - grid.cpp:329-407 - libgromacs_mpi.so.7 [...]+		0.01	0.02	0	27	0.01	0.00		0.00
○Loop 1706 - grid.cpp:397-400 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 1705 - grid.cpp:385-387 - libgromacs_mpi.so.7 [...]		0	0	0	3	0.00	0.00		0.00
○Loop 1703 - grid.cpp:426-431 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 1702 - grid.cpp:426-431 - libgromacs_mpi.so.7		0	0	0	0	0.00	0.00		0.00
○Loop 1700 - grid.cpp:415-420 - libgromacs_mpi.so.7		0	0	0	1	0.00	0.00		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	0.01	27	0.01	0.01	/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00	61.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
○Loop 14818 - bonded.cpp:2960-3032 - libgromacs_mpi.so.7 [...]		0.01	0.04	0.01	26	0.01	0.01		61.00

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