options

Functions and Loops

182 loops and 197 functions have been discarded from the report because their coverage is lower than the threshold set by object_coverage_threshold (0.01%). It represents about 0% of the application. To include them, change the value of object_coverage_threshold in the experiment directory configuration file, then rerun the command with the additionnal parameter --force-static-analysis

▼Colums Filter

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
NameModuleCoverage 1x52 (%)Max Time Over Threads 1x52 (s)Time w.r.t. Wall Time 1x52 (s)Nb Threads 1x52Deviation (coverage) 1x52Deviation (walltime) 1x52Categories 1x52GFLOPS 1x52Compilation Options
►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.7.0.028.4115.6115.53520.460.24/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.002383.04Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 982 - stl_iterator.h:1107-1240 - libgromacs_mpi.so.7.0.0 [...]+0.640.620.35520.160.091172.32
○Loop 987 - kernel_outer.h:547-547 - libgromacs_mpi.so.7.0.0 [...]18.7212.8310.23524.802.532403.36
○Loop 985 - kernel_outer.h:565-565 - libgromacs_mpi.so.7.0.0 [...]6.849.463.74524.892.582569.22
○Loop 988 - kernel_outer.h:541-544 - libgromacs_mpi.so.7.0.0 [...]0.880.70.48520.240.131806.50
○Loop 986 - kernel_outer.h:559-562 - libgromacs_mpi.so.7.0.0 [...]0.680.980.37520.490.262260.98
○Loop 983 - kernel_outer.h:581-581 - libgromacs_mpi.so.7.0.0 [...]0.570.550.31510.240.132051.10
○Loop 984 - kernel_outer.h:575-578 - libgromacs_mpi.so.7.0.0 [...]0.070.090.04470.040.021586.00
○bool _INTERNAL8eaaea23::__kmp_wait_template<kmp_flag_64<false, true>, true, false, true>(kmp_info*, kmp_flag_64<false, true>*, void*)libiomp5.so24.4517.4513.36513.621.89OMP (%): 100.000.00
►fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)+libgromacs_mpi.so.7.0.05.383.292.94520.450.24/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 21794 - fft5d.cpp:786-1420 - libgromacs_mpi.so.7.0.0 [...]+0.010.020.01430.010.010.00
►Loop 21799 - fft5d.cpp:1095-1111 - libgromacs_mpi.so.7.0.0+00000.000.000.00
►Loop 21800 - fft5d.cpp:1097-1111 - libgromacs_mpi.so.7.0.0+00000.000.000.00
►Loop 21802 - fft5d.cpp:1100-1109 - libgromacs_mpi.so.7.0.0+00000.000.000.00
○Loop 21801 - fft5d.cpp:1102-1104 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 21818 - fft5d.cpp:791-793 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 21803 - fft5d.cpp:856-858 - libgromacs_mpi.so.7.0.000010.000.000.00
►Loop 21819 - fft5d.cpp:786-1120 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
►Loop 21820 - fft5d.cpp:810-1120 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
►Loop 21821 - fft5d.cpp:814-820 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
○Loop 21822 - fft5d.cpp:818-820 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 21823 - fft5d.cpp:814-820 - libgromacs_mpi.so.7.0.000000.000.000.00
►Loop 21804 - fft5d.cpp:835-886 - libgromacs_mpi.so.7.0.0 [...]+00.010110.000.000.00
►Loop 21805 - fft5d.cpp:835-886 - libgromacs_mpi.so.7.0.0 [...]+0.010.040.01280.020.010.00
►Loop 21806 - fft5d.cpp:835-886 - libgromacs_mpi.so.7.0.0 [...]+0.130.110.07520.040.020.00
○Loop 21809 - fft5d.cpp:884-886 - libgromacs_mpi.so.7.0.04.532.832.48520.440.230.00
○Loop 21808 - fft5d.cpp:884-886 - libgromacs_mpi.so.7.0.00.040.090.02460.030.020.00
○Loop 21807 - fft5d.cpp:884-886 - libgromacs_mpi.so.7.0.000000.000.000.00
►Loop 21824 - fft5d.cpp:1095-1111 - libgromacs_mpi.so.7.0.0+00000.000.000.00
►Loop 21825 - fft5d.cpp:1097-1111 - libgromacs_mpi.so.7.0.0+00000.000.000.00
►Loop 21827 - fft5d.cpp:1100-1109 - libgromacs_mpi.so.7.0.0+00000.000.000.00
○Loop 21826 - fft5d.cpp:1102-1104 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 21810 - fft5d.cpp:920-922 - libgromacs_mpi.so.7.0.000000.000.000.00
►Loop 21811 - fft5d.cpp:899-1382 - libgromacs_mpi.so.7.0.0 [...]+00.010100.000.000.00
►Loop 21812 - fft5d.cpp:899-1382 - libgromacs_mpi.so.7.0.0 [...]+00.010170.000.000.00
►Loop 21813 - fft5d.cpp:899-1382 - libgromacs_mpi.so.7.0.0 [...]+0.070.060.04520.020.010.00
○Loop 21816 - fft5d.cpp:947-949 - libgromacs_mpi.so.7.0.00.560.380.3520.080.040.00
○Loop 21815 - fft5d.cpp:947-949 - libgromacs_mpi.so.7.0.000.01080.000.000.00
○Loop 21817 - fft5d.cpp:947-949 - libgromacs_mpi.so.7.0.0000110.000.000.00
○Loop 21814 - fft5d.cpp:947-949 - libgromacs_mpi.so.7.0.000000.000.000.00
►Loop 21828 - fft5d.cpp:1095-1111 - libgromacs_mpi.so.7.0.0+00000.000.000.00
►Loop 21829 - fft5d.cpp:1097-1111 - libgromacs_mpi.so.7.0.0+00000.000.000.00
►Loop 21831 - fft5d.cpp:1100-1109 - libgromacs_mpi.so.7.0.0+00000.000.000.00
○Loop 21830 - fft5d.cpp:1102-1104 - libgromacs_mpi.so.7.0.000000.000.000.00
►Loop 21795 - fft5d.cpp:1095-1111 - libgromacs_mpi.so.7.0.0+00000.000.000.00
►Loop 21796 - fft5d.cpp:1097-1111 - libgromacs_mpi.so.7.0.0+00000.000.000.00
►Loop 21798 - fft5d.cpp:1100-1109 - libgromacs_mpi.so.7.0.0+00000.000.000.00
○Loop 21797 - fft5d.cpp:1102-1104 - libgromacs_mpi.so.7.0.000000.000.000.00
►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.7.0.04.292.382.34520.120.06/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.002697.61Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 989 - stl_iterator.h:1107-1240 - libgromacs_mpi.so.7.0.0 [...]+0.10.10.06520.040.021462.67
○Loop 994 - kernel_outer.h:547-547 - libgromacs_mpi.so.7.0.0 [...]2.7921.53520.740.392719.74
○Loop 992 - kernel_outer.h:565-565 - libgromacs_mpi.so.7.0.0 [...]1.081.510.59520.780.412862.38
○Loop 995 - kernel_outer.h:541-544 - libgromacs_mpi.so.7.0.0 [...]0.120.110.07520.040.021924.57
○Loop 993 - kernel_outer.h:559-562 - libgromacs_mpi.so.7.0.0 [...]0.10.140.05520.070.042803.20
○Loop 990 - kernel_outer.h:581-581 - libgromacs_mpi.so.7.0.0 [...]0.080.090.04490.040.022296.00
○Loop 991 - kernel_outer.h:575-578 - libgromacs_mpi.so.7.0.0 [...]0.010.020360.010.010.00
►gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)+libgromacs_mpi.so.7.0.03.82.612.08521.260.66/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.00582.74Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 21402 - pme_gather.cpp:76-348 - libgromacs_mpi.so.7.0.0 [...]+1.951.511.06520.720.38752.25
○Loop 21401 - impl_x86_avx_512_util_float.h:493-493 - libgromacs_mpi.so.7.0.0 [...]1.851.361.01520.570.30410.28
►Loop 21405 - pme_gather.cpp:247-259 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
○Loop 21403 - pme_gather.cpp:253-259 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 21404 - pme_gather.cpp:253-253 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
►Loop 21406 - pme_gather.cpp:76-305 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
►Loop 21410 - pme_gather.cpp:109-124 - libgromacs_mpi.so.7.0.0+00000.000.000.00
○Loop 21412 - pme_gather.cpp:116-120 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 21411 - pme_gather.cpp:116-120 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 21409 - pme_gather.cpp:116-120 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 21408 - pme_gather.cpp:116-120 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 21407 - pme_gather.cpp:116-120 - libgromacs_mpi.so.7.0.000000.000.000.00
►_INTERNALae0e43be::reduce_threadgrid_overlap(gmx_pme_t const*, pmegrids_t const*, int, float*, float*, float*, int)+libgromacs_mpi.so.7.0.02.741.781.5520.230.12/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.004.89Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 21731 - pme_spread.cpp:523-702 - libgromacs_mpi.so.7.0.0 [...]+00020.000.000.00
►Loop 21732 - pme_spread.cpp:523-702 - libgromacs_mpi.so.7.0.0 [...]+00.01070.000.000.00
►Loop 21733 - pme_spread.cpp:523-702 - libgromacs_mpi.so.7.0.0 [...]+0.010.010280.010.000.00
►Loop 21740 - pme_spread.cpp:524-641 - libgromacs_mpi.so.7.0.0 [...]+0.090.090.05520.040.0210.00
►Loop 21741 - pme_spread.cpp:524-641 - libgromacs_mpi.so.7.0.0 [...]+10.610.55520.100.058.49
○Loop 21742 - pme_spread.cpp:639-641 - libgromacs_mpi.so.7.0.01.641.130.9520.220.112.40
○Loop 21744 - pme_spread.cpp:639-641 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 21743 - pme_spread.cpp:639-641 - libgromacs_mpi.so.7.0.000000.000.000.00
►Loop 21734 - pme_spread.cpp:663-702 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
►Loop 21735 - pme_spread.cpp:685-702 - libgromacs_mpi.so.7.0.0+00000.000.000.00
○Loop 21738 - pme_spread.cpp:700-702 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 21736 - pme_spread.cpp:700-702 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 21739 - pme_spread.cpp:693-695 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 21737 - pme_spread.cpp:700-702 - libgromacs_mpi.so.7.0.000000.000.000.00
►_INTERNAL1bba7552::gmx::lincs_matrix_expand(_INTERNAL1bba7552::gmx::Lincs const&, _INTERNAL1bba7552::gmx::Task const&, _INTERNAL1bba7552::gmx::ArrayRef<float const>, _INTERNAL1bba7552::gmx::ArrayRef<float>, _INTERNAL1bba7552::gmx::Array...+libgromacs_mpi.so.7.0.02.331.681.27520.280.15/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.00268.84Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 18652 - lincs.cpp:270-287 - libgromacs_mpi.so.7.0.0 [...]+00.010200.010.000.00
►Loop 18653 - lincs.cpp:276-287 - libgromacs_mpi.so.7.0.0 [...]+1.450.880.79520.100.05295.57
○Loop 18654 - lincs.cpp:282-284 - libgromacs_mpi.so.7.0.00.860.870.47520.260.14229.30
○Loop 18656 - lincs.cpp:282-284 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 18655 - lincs.cpp:282-284 - libgromacs_mpi.so.7.0.000000.000.000.00
►Loop 18647 - lincs.cpp:320-340 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
►Loop 18648 - lincs.cpp:322-340 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
○Loop 18650 - lincs.cpp:332-336 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 18649 - lincs.cpp:332-336 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 18651 - lincs.cpp:332-336 - libgromacs_mpi.so.7.0.000000.000.000.00
○mkl_dft_avx512_owns_cRealRecombine_32flibmkl_avx512.so.21.851.261.01520.430.23Math (%): 100.0060.51
►void _INTERNALecfc3c36::clearBufferFlagged<3>(nbnxn_atomdata_t const&, int, gmx::ArrayRef<float>)+libgromacs_mpi.so.7.0.01.671.150.91520.270.14/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 2125 - kernel_common.cpp:54-76 - libgromacs_mpi.so.7.0.0 [...]+0.340.260.18520.060.030.00
○Loop 2124 - iterator_interface.hpp:166-459 - libgromacs_mpi.so.7.0.0 [...]1.331.020.73520.280.150.00
►_INTERNALae0e43be::make_bsplines(float**, float**, int, float (*) [3], int, int const*, float const*, bool)+libgromacs_mpi.so.7.0.01.621.160.88520.510.27/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.00200.22Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 21746 - pme_spread.cpp:277-292 - libgromacs_mpi.so.7.0.0 [...]+1.611.160.88520.510.27200.22
►Loop 21745 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7.0.0+00000.000.000.00
○Loop 21749 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 21748 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 21747 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7.0.000000.000.000.00
►Loop 21750 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7.0.0+00000.000.000.00
○Loop 21751 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7.0.000000.000.000.00
►_INTERNALae0e43be::spread_coefficients_bsplines_thread(pmegrid_t const*, PmeAtomComm const*, splinedata_t*, pme_spline_work*)+libgromacs_mpi.so.7.0.01.611.130.88520.500.27/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.00219.97Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 21753 - pme_spread.cpp:331-400 - libgromacs_mpi.so.7.0.0 [...]+1.611.130.88520.500.27219.88
►Loop 21755 - pme_spread.cpp:332-400 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
►Loop 21754 - pme_spread.cpp:332-400 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
○Loop 21757 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 21758 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 21756 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 21752 - pme_simd4.h:96-138 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 21759 - pme_spread.cpp:351-353 - libgromacs_mpi.so.7.0.000000.000.000.00
►L__ZN17_INTERNALa817b2b737nbnxn_atomdata_add_nbat_f_to_f_reduceEP16nbnxn_atomdata_ti_1188__par_region0_2_51+libgromacs_mpi.so.7.0.01.330.930.73520.210.11/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0039.67Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 1590 - atomdata.cpp:1053-1221 - libgromacs_mpi.so.7.0.0 [...]+00.01070.000.000.00
►Loop 1591 - atomdata.cpp:1053-1221 - libgromacs_mpi.so.7.0.0 [...]+0.050.060.03520.020.0158.67
○Loop 1597 - atomdata.cpp:1207-1211 - libgromacs_mpi.so.7.0.0 [...]0.50.340.27520.070.0432.59
►Loop 1593 - atomdata.cpp:1119-1221 - libgromacs_mpi.so.7.0.0 [...]+0.070.10.04480.050.0332.00
○Loop 1594 - atomdata.cpp:1122-1221 - libgromacs_mpi.so.7.0.0 [...]0.580.520.32480.210.1145.50
►Loop 1595 - atomdata.cpp:1106-1221 - libgromacs_mpi.so.7.0.0 [...]+0.010.040160.020.010.00
○Loop 1596 - atomdata.cpp:1109-1221 - libgromacs_mpi.so.7.0.0 [...]0.110.530.06210.340.1842.67
○Loop 1592 - atomdata.cpp:1053-1055 - libgromacs_mpi.so.7.0.000000.000.000.00
○_ZN17_INTERNAL8eaaea2326__kmp_hyper_barrier_gatherE12barrier_typeP8kmp_infoiiPFvPvS3_ES3_..0libiomp5.so1.066.170.58512.301.22OMP (%): 100.000.00
►L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_910__par_region0_2_2+libgromacs_mpi.so.7.0.01.050.70.57520.120.06/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 21717 - pme_spread.cpp:445-447 - libgromacs_mpi.so.7.0.00.920.640.5520.120.060.00
○Loop 21718 - pme_spread.cpp:911-923 - libgromacs_mpi.so.7.0.0 [...]00.010100.000.000.00
►_INTERNAL1bba7552::gmx::lincs_update_atoms_ind(_INTERNAL1bba7552::gmx::ArrayRef<int const>, _INTERNAL1bba7552::gmx::ArrayRef<_INTERNAL1bba7552::gmx::AtomPair const>, float, _INTERNAL1bba7552::gmx::ArrayRef<float const>, _INTERNAL1bba7552:...+libgromacs_mpi.so.7.0.00.920.80.5520.150.08/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0042.96Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 18661 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7.0.0 [...]0.920.80.5520.150.0842.94
○Loop 18660 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
►_INTERNALae0e43be::calc_interpolation_idx(gmx_pme_t const*, PmeAtomComm*, int, int, int, int)+libgromacs_mpi.so.7.0.00.90.680.49520.120.06/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0062.86Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 21719 - pme_spread.cpp:104-145 - libgromacs_mpi.so.7.0.0 [...]0.640.530.35520.100.0587.97
○Loop 21721 - pme_spread.cpp:172-174 - libgromacs_mpi.so.7.0.0 [...]0.250.190.14520.050.030.00
○Loop 21729 - pme_spread.cpp:104-133 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 21728 - pme_spread.cpp:154-156 - libgromacs_mpi.so.7.0.000.01070.000.000.00
○Loop 21727 - stl_uninitialized.h:351-351 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 21722 - pme_spread.cpp:165-167 - libgromacs_mpi.so.7.0.000030.000.000.00
○Loop 21720 - pme_spread.cpp:172-174 - libgromacs_mpi.so.7.0.0 [...]00.01050.000.000.00
○Loop 21725 - stl_uninitialized.h:351-351 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 21730 - pme_spread.cpp:96-98 - libgromacs_mpi.so.7.0.000020.000.000.00
○Loop 21723 - vector.tcc:635-635 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 21726 - stl_uninitialized.h:351-351 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 21724 - stl_uninitialized.h:351-351 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
►__intel_skx_avx512_memset+gmx_mpi0.720.580.4520.170.09Memory (%): 100.000.00
○Loop 128 - - gmx_mpi0.060.10.03490.040.020.00
○mkl_dft_avx512_ipps_cFFTfwd_64_32fclibmkl_avx512.so.20.640.520.35520.140.07Math (%): 100.00277.94
►_INTERNALb293ce76::makeClusterListSimd2xnn(Nbnxm::Grid const&, NbnxnPairlistCpu*, int, int, int, bool, float const*, float, float, int*)+libgromacs_mpi.so.7.0.00.630.390.34520.070.03/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.00239.68Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 2693 - pairlist_simd_2xmm.h:130-176 - libgromacs_mpi.so.7.0.0 [...]0.380.290.21520.060.03200.76
○Loop 2692 - pairlist_simd_2xmm.h:185-231 - libgromacs_mpi.so.7.0.0 [...]0.10.090.06520.030.02239.33
○Loop 2691 - pairlist_simd_2xmm.h:237-242 - libgromacs_mpi.so.7.0.0 [...]0.050.050.03520.020.01225.33
○mkl_dft_avx512_mg_rowbatch_plain_bwd_096_slibmkl_avx512.so.20.60.410.33520.070.04Math (%): 100.00817.46
○mkl_dft_avx512_mg_rowbatch_plain_fwd_096_slibmkl_avx512.so.20.60.460.33520.110.06Math (%): 100.00860.85
○void _INTERNAL4f3e572d::gmx::__regcall3__gatherLoadUTranspose<3, _INTERNAL4f3e572d::gmx::SimdFloat*, _INTERNAL4f3e572d::gmx::SimdFloat*>(float const*, int const*, _INTERNAL4f3e572d::gmx::SimdFloat*, _INTERNAL4f3e572d::gmx::SimdFloat*, _INTERNAL4f3e57...libgromacs_mpi.so.7.0.00.560.470.3520.140.07/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.001.60Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►void _INTERNALb293ce76::nbnxn_make_pairlist_part<NbnxnPairlistCpu>(Nbnxm::GridSet const&, Nbnxm::Grid const&, Nbnxm::Grid const&, PairsearchWork*, nbnxn_atomdata_t const*, gmx::ListOfLists<int> const&, float, PairlistType, int, ...+libgromacs_mpi.so.7.0.00.530.350.29520.060.03/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0022.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 2674 - pairlist.cpp:2223-3518 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
►Loop 2666 - pairlist.cpp:2223-3514 - libgromacs_mpi.so.7.0.0 [...]+00080.000.000.00
►Loop 2665 - pairlist.cpp:2223-3512 - libgromacs_mpi.so.7.0.0 [...]+00.010100.000.000.00
►Loop 2667 - pairlist.cpp:2223-3507 - libgromacs_mpi.so.7.0.0 [...]+0.010.020230.010.000.00
►Loop 2668 - pairlist.cpp:2223-3507 - libgromacs_mpi.so.7.0.0 [...]+00.010250.010.000.00
►Loop 2669 - pairlist.cpp:2223-3507 - libgromacs_mpi.so.7.0.0 [...]+0.020.030.01480.010.0115.00
►Loop 2670 - pairlist.cpp:2966-3474 - libgromacs_mpi.so.7.0.0 [...]+0.020.040.01440.010.016.00
►Loop 2671 - pairlist.cpp:2966-3474 - libgromacs_mpi.so.7.0.0 [...]+0.250.190.14520.040.0233.93
○Loop 2672 - pairlist.cpp:3407-3411 - libgromacs_mpi.so.7.0.0 [...]0.20.160.11520.050.027.27
○Loop 2673 - pairlist.cpp:3392-3396 - libgromacs_mpi.so.7.0.0 [...]0.040.040.02510.020.0121.00
○Loop 2664 - pairlist.cpp:258-3133 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 2663 - pairlist.cpp:3053-3053 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 2675 - pairlist.cpp:2891-2893 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 2676 - pairlist.cpp:2891-2893 - libgromacs_mpi.so.7.0.000000.000.000.00
►nbnxn_kernel_prune_2xnn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)+libgromacs_mpi.so.7.0.00.520.350.29520.070.04/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.001991.18Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 1496 - kernel_prune.cpp:76-158 - libgromacs_mpi.so.7.0.0 [...]+0.010.030.01510.010.011728.00
○Loop 1497 - kernel_prune.cpp:109-151 - libgromacs_mpi.so.7.0.0 [...]0.510.330.28520.070.032000.00
►L__ZN17_INTERNALd056bbd43gmx12_GLOBAL__N_124reduceThreadForceBuffersIA4_fEEvNS0_8ArrayRefINS0_11BasicVectorIfEEEENS4_ISt10unique_ptrINS0_17ThreadForceBufferIT_EESt14default_deleteISB_EEEENS4_IKSt5arrayImLm2EEEENS4_IKiEE_170__par_region0_2_127+libgromacs_mpi.so.7.0.00.510.370.28520.090.05/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0027.25Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 5126 - threaded_force_buffer.cpp:171-211 - libgromacs_mpi.so.7.0.0 [...]+0.010.020.01330.010.0013.00
►Loop 5129 - threaded_force_buffer.cpp:207-211 - libgromacs_mpi.so.7.0.0 [...]+0.150.130.08520.040.0252.13
○Loop 5130 - threaded_force_buffer.cpp:209-211 - libgromacs_mpi.so.7.0.0 [...]0.190.160.1520.060.0327.10
○Loop 5127 - threaded_force_buffer.cpp:182-187 - libgromacs_mpi.so.7.0.0 [...]0.140.140.08520.040.025.00
○Loop 5128 - threaded_force_buffer.cpp:200-200 - libgromacs_mpi.so.7.0.0 [...]0.020.040.01340.020.0122.00
►std::enable_if<std::is_same<float [3], float [3]>::value||std::is_same<float [3], float const [3]>::value, void>::type _INTERNAL568e5334::updateMDLeapfrogSimpleSimd<(StoreUpdatedVelocities)0, float [3]>(int, int, float, gmx::ArrayRe...+libgromacs_mpi.so.7.0.00.470.360.26520.080.04/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0086.15Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 19336 - update.cpp:481-481 - libgromacs_mpi.so.7.0.0 [...]0.470.360.25520.080.0489.60
►__intel_skx_avx512_memcpy+gmx_mpi0.460.610.25520.130.07Memory (%): 100.000.00
○Loop 127 - - gmx_mpi00000.000.000.00
○Loop 126 - - gmx_mpi00.05010.000.000.00
○_INTERNAL8eaaea23::__kmp_hyper_barrier_gather(barrier_type, kmp_info*, int, int, void (*)(void*, void*), void*)libiomp5.so0.442.820.24481.060.57OMP (%): 100.000.00
►L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_1010__par_region4_2_4+libgromacs_mpi.so.7.0.00.430.340.24520.070.04/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 21710 - pme_spread.cpp:186-988 - libgromacs_mpi.so.7.0.0 [...]+00.010110.000.000.00
►Loop 21714 - pme_spread.cpp:188-199 - libgromacs_mpi.so.7.0.0 [...]+0.070.090.04520.030.020.00
○Loop 21715 - pme_spread.cpp:197-199 - libgromacs_mpi.so.7.0.0 [...]0.180.150.1520.050.020.00
►Loop 21711 - pme_spread.cpp:438-447 - libgromacs_mpi.so.7.0.0+0.070.070.04520.030.010.00
○Loop 21713 - pme_spread.cpp:441-445 - libgromacs_mpi.so.7.0.00.070.070.04520.030.010.00
○Loop 21712 - pme_spread.cpp:441-445 - libgromacs_mpi.so.7.0.00.040.060.02520.020.010.00
○Loop 21716 - pme_spread.cpp:1011-1015 - libgromacs_mpi.so.7.0.000030.000.000.00
○kmp_flag_native<unsigned long long, (flag_type)1, true>::notdone_check()libiomp5.so0.420.350.23520.100.05OMP (%): 100.000.00
►_INTERNAL1bba7552::gmx::do_lincs(_INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector<float> const>, _INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector<float> >, float const (*...+libgromacs_mpi.so.7.0.00.350.30.19520.080.04/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0066.63Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 18645 - lincs.cpp:1085-1089 - libgromacs_mpi.so.7.0.0 [...]+0.020.020.01520.010.0188.00
○Loop 18646 - lincs.cpp:1087-1089 - libgromacs_mpi.so.7.0.0 [...]0.260.230.14520.070.0359.36
○Loop 18637 - lincs.cpp:1215-1223 - libgromacs_mpi.so.7.0.0 [...]0.010.020.01480.010.0182.00
○Loop 18644 - lincs.cpp:1098-1098 - libgromacs_mpi.so.7.0.0 [...]0.010.020310.010.000.00
○Loop 18638 - lincs.cpp:1202-1207 - libgromacs_mpi.so.7.0.000000.000.000.00
►Loop 18642 - lincs.cpp:1123-1173 - libgromacs_mpi.so.7.0.0 [...]+00.010140.010.000.00
○Loop 18643 - lincs.cpp:1155-1155 - libgromacs_mpi.so.7.0.0 [...]0.030.040.02500.020.0196.00
○Loop 18639 - lincs.cpp:1202-1207 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 18641 - lincs.cpp:1193-1195 - libgromacs_mpi.so.7.0.0 [...]00.010180.010.000.00
○Loop 18640 - lincs.cpp:1202-1207 - libgromacs_mpi.so.7.0.000000.000.000.00
►L__ZN3gmx6Update4Impl13finish_updateERK10t_inputrecbiNS_8ArrayRefIKtEEP7t_stateP13gmx_wallcycleb_1637__par_region0_2_148+libgromacs_mpi.so.7.0.00.320.230.18520.060.03/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 19339 - update.cpp:1638-1641 - libgromacs_mpi.so.7.0.00.320.230.17520.060.030.00
►solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)+libgromacs_mpi.so.7.0.00.320.230.18520.050.02/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.00829.95Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 21637 - pme_solve.cpp:98-561 - libgromacs_mpi.so.7.0.0 [...]+0.120.090.06520.030.01929.17
○Loop 21643 - pme_solve.cpp:234-238 - libgromacs_mpi.so.7.0.0 [...]0.040.070.02520.020.011768.00
○Loop 21660 - pme_solve.cpp:441-454 - libgromacs_mpi.so.7.0.00.040.050.02520.020.01180.50
○Loop 21659 - pme_solve.cpp:457-470 - libgromacs_mpi.so.7.0.00.040.040.02520.020.01195.50
○Loop 21639 - pme_solve.cpp:555-561 - libgromacs_mpi.so.7.0.00.020.030.01490.010.01640.00
○Loop 21647 - pme_solve.cpp:522-531 - libgromacs_mpi.so.7.0.00.020.030.01450.010.0171.00
○Loop 21650 - pme_solve.cpp:499-511 - libgromacs_mpi.so.7.0.00.020.040.01500.010.011584.00
○Loop 21644 - pme_solve.cpp:534-543 - libgromacs_mpi.so.7.0.00.010.020.01520.010.012224.00
○Loop 21655 - pme_solve.cpp:234-238 - libgromacs_mpi.so.7.0.0 [...]00.010270.010.000.00
○Loop 21648 - pme_solve.cpp:522-531 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 21642 - pme_solve.cpp:555-561 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 21645 - pme_solve.cpp:534-543 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 21654 - pme_solve.cpp:486-496 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 21652 - pme_solve.cpp:486-496 - libgromacs_mpi.so.7.0.000.010240.010.000.00
○Loop 21646 - pme_solve.cpp:534-543 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 21651 - pme_solve.cpp:499-511 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 21657 - pme_solve.cpp:473-475 - libgromacs_mpi.so.7.0.000.010250.010.000.00
○Loop 21658 - pme_solve.cpp:473-475 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 21649 - pme_solve.cpp:522-531 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 21656 - pme_solve.cpp:473-475 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 21641 - pme_solve.cpp:555-561 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 21640 - pme_solve.cpp:555-561 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 21638 - pme_solve.cpp:555-561 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 21653 - pme_solve.cpp:486-496 - libgromacs_mpi.so.7.0.000000.000.000.00
►_INTERNAL1bba7552::gmx::__regcall3__calc_dr_x_xp_simd(int, int, _INTERNAL1bba7552::gmx::ArrayRef<_INTERNAL1bba7552::gmx::AtomPair const>, float const (*) [3], float const (*) [3], float const*, float const*, float const*, float (*) [3], float*, floa...+libgromacs_mpi.so.7.0.00.310.310.17520.080.04/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.00160.94Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 18662 - lincs.cpp:798-828 - libgromacs_mpi.so.7.0.0 [...]0.310.30.17520.080.04160.94
►copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)+libgromacs_mpi.so.7.0.00.30.380.17380.160.09/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 1580 - atomdata.cpp:226-236 - libgromacs_mpi.so.7.0.00.290.360.16360.130.070.00
○Loop 1579 - atomdata.cpp:226-236 - libgromacs_mpi.so.7.0.00.010.020.01290.010.010.00
○Loop 1575 - atomdata.cpp:180-184 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 1570 - atomdata.cpp:256-256 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 1574 - atomdata.cpp:154-163 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 1572 - atomdata.cpp:161-163 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 1577 - atomdata.cpp:172-182 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 1581 - atomdata.cpp:207-217 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 1573 - atomdata.cpp:154-158 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 1583 - atomdata.cpp:193-203 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 1582 - atomdata.cpp:193-203 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 1571 - atomdata.cpp:161-163 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 1576 - atomdata.cpp:172-176 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 1578 - atomdata.cpp:240-250 - libgromacs_mpi.so.7.0.000000.000.000.00
►void _INTERNAL5738f0d5::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.7.0.00.290.210.16520.050.03/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.00184.63Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 21183 - pairs.cpp:863-935 - libgromacs_mpi.so.7.0.0 [...]0.290.210.16520.050.03184.63
○void _INTERNALc075c6e4::gmx::__regcall3__gatherLoadBySimdIntTranspose<3, _INTERNALc075c6e4::gmx::SimdFloat*, _INTERNALc075c6e4::gmx::SimdFloat*>(float const*, _INTERNALc075c6e4::gmx::SimdFInt32, _INTERNALc075c6e4::gmx::SimdFloat*, _INTERNALc075c6e4::...libgromacs_mpi.so.7.0.00.280.330.15520.090.05/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○void _INTERNAL4f3e572d::gmx::__regcall3__transposeScatterStoreU<3>(float*, int const*, _INTERNAL4f3e572d::gmx::SimdFloat, _INTERNAL4f3e572d::gmx::SimdFloat, _INTERNAL4f3e572d::gmx::SimdFloat)libgromacs_mpi.so.7.0.00.260.190.14520.050.03/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.00196.57Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○_INTERNALc075c6e4::(anonymous namespace)::dih_angle_simd(float const (*) [3], int const*, int const*, int const*, int const*, float const*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat...libgromacs_mpi.so.7.0.00.250.210.14520.050.02/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.00472.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○_INTERNALc075c6e4::(anonymous namespace)::__regcall3__do_dih_fup_noshiftf_simd(int const*, int const*, int const*, int const*, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, f...libgromacs_mpi.so.7.0.00.230.170.13520.060.03/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.00110.46Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►pbc_dx_aiuc(t_pbc const*, float const*, float const*, float*)+libgromacs_mpi.so.7.0.00.230.260.13520.060.03/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0041.46Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 5554 - pbc.cpp:899-907 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 5555 - pbc.cpp:989-1004 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
►std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNALc075c6e4::(anonymous namespace)::angles<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc co...+libgromacs_mpi.so.7.0.00.220.190.12520.060.03/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.00532.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 20843 - bonded.cpp:1151-1255 - libgromacs_mpi.so.7.0.0 [...]0.220.190.12520.060.03532.00
○mkl_dft_avx512_ipps_cFFTinv_64_32fclibmkl_avx512.so.20.20.160.11520.050.02Math (%): 100.001067.64
○void _INTERNALc075c6e4::gmx::__regcall3__transposeScatterIncrU<4>(float*, int const*, _INTERNALc075c6e4::gmx::SimdFloat, _INTERNALc075c6e4::gmx::SimdFloat, _INTERNALc075c6e4::gmx::SimdFloat)libgromacs_mpi.so.7.0.00.190.150.1520.050.02/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.00364.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○DftiComputeBackwardlibmkl_intel_lp64.so.20.190.150.1520.050.02Math (%): 100.00172.00
►_INTERNALa817b2b7::nbnxn_atomdata_add_nbat_f_to_f_part(Nbnxm::GridSet const&, nbnxn_atomdata_t const&, nbnxn_atomdata_output_t const&, int, int, float (*) [3])+libgromacs_mpi.so.7.0.00.190.140.11520.040.02/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0038.55Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 1588 - atomdata.cpp:1173-1179 - libgromacs_mpi.so.7.0.0 [...]0.190.140.1520.040.0242.40
○Loop 1587 - atomdata.cpp:1153-1159 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 1589 - atomdata.cpp:1163-1169 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 1586 - atomdata.cpp:1182-1182 - libgromacs_mpi.so.7.0.000000.000.000.00
►float _INTERNAL5738f0d5::do_pairs_general<(BondedKernelFlavor)2>(int, int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float const*, float*, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gm...+libgromacs_mpi.so.7.0.00.170.130.09520.040.02/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0065.56Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 21179 - pairs.cpp:125-824 - libgromacs_mpi.so.7.0.0 [...]0.170.130.09520.040.0265.56
○_INTERNALf8156861::gmx::SimdFloat _INTERNALf8156861::gmx::__regcall3__exp<(MathOptimization)0>(_INTERNALf8156861::gmx::SimdFloat)libgromacs_mpi.so.7.0.00.160.140.08520.040.02/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.001734.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNALc075c6e4::(anonymous namespace)::pdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc con...+libgromacs_mpi.so.7.0.00.160.140.09520.040.02/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.00174.67Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 20856 - bonded.cpp:2059-2126 - libgromacs_mpi.so.7.0.0 [...]0.160.140.09520.040.02174.67
►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNALc075c6e4::(anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3],...+libgromacs_mpi.so.7.0.00.160.140.09520.050.03/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0072.44Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 20945 - bonded.cpp:129-2014 - libgromacs_mpi.so.7.0.0 [...]+0.150.130.08520.040.0277.00
○Loop 20946 - bonded.cpp:1914-2008 - libgromacs_mpi.so.7.0.0 [...]0.010.020.01420.010.0136.00
○_INTERNAL8eaaea23::__kmp_hyper_barrier_release(barrier_type, kmp_info*, int, int, int, void*)libiomp5.so0.150.490.08520.180.10OMP (%): 100.000.00
►_INTERNAL1bba7552::gmx::__regcall3__calc_dist_iter_simd(int, int, _INTERNAL1bba7552::gmx::ArrayRef<_INTERNAL1bba7552::gmx::AtomPair const>, float const (*) [3], float const*, float const*, float const*, float, float*, float*, bool*)+libgromacs_mpi.so.7.0.00.140.160.08520.050.03/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.00192.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 18657 - lincs.cpp:919-930 - libgromacs_mpi.so.7.0.0 [...]0.140.160.08520.050.03192.00
○DftiComputeForwardlibmkl_intel_lp64.so.20.130.130.07520.050.02Math (%): 100.00309.71
►unwrap_periodic_pmegrid(gmx_pme_t*, float*)+libgromacs_mpi.so.7.0.00.130.10.07520.040.02/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 21467 - pme_grid.cpp:496-504 - libgromacs_mpi.so.7.0.0+00000.000.000.00
►Loop 21468 - pme_grid.cpp:496-504 - libgromacs_mpi.so.7.0.0+00010.000.000.00
○Loop 21470 - pme_grid.cpp:500-504 - libgromacs_mpi.so.7.0.000.03010.000.000.00
○Loop 21469 - pme_grid.cpp:502-504 - libgromacs_mpi.so.7.0.000000.000.000.00
►Loop 21459 - pme_grid.cpp:512-539 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
►Loop 21460 - pme_grid.cpp:518-539 - libgromacs_mpi.so.7.0.0 [...]+00.01020.000.000.00
○Loop 21462 - pme_grid.cpp:518-522 - libgromacs_mpi.so.7.0.000030.000.000.00
○Loop 21461 - pme_grid.cpp:520-522 - libgromacs_mpi.so.7.0.000000.000.000.00
►Loop 21463 - pme_grid.cpp:496-539 - libgromacs_mpi.so.7.0.0 [...]+00.01030.000.000.00
►Loop 21464 - pme_grid.cpp:496-539 - libgromacs_mpi.so.7.0.0 [...]+0.040.050.02470.020.010.00
○Loop 21465 - pme_grid.cpp:537-539 - libgromacs_mpi.so.7.0.00.070.070.04520.030.010.00
○Loop 21466 - pme_grid.cpp:535-539 - libgromacs_mpi.so.7.0.000000.000.000.00
○mkl_dft_avx512_owns_cCcsRecombine_32flibmkl_avx512.so.20.120.10.06520.030.02Math (%): 100.00832.00
►void _INTERNAL4f3e572d::gmx::settleTemplate<_INTERNAL4f3e572d::gmx::SimdFloat, _INTERNAL4f3e572d::gmx::SimdFBool, 16, float const*, true, false>(_INTERNAL4f3e572d::gmx::SettleData const&, int, int, float const*, float const*, float*, float, float...+libgromacs_mpi.so.7.0.00.120.10.07520.030.02/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.001106.29Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 19100 - settle.cpp:423-649 - libgromacs_mpi.so.7.0.0 [...]0.120.10.06520.030.021290.67
►L__ZN17_INTERNAL727fa8dd19calc_ke_part_normalEN3gmx8ArrayRefIKNS0_11BasicVectorIfEEEEPK9t_grpoptsPK9t_mdatomsP14gmx_ekindata_tP6t_nrnbb_113__par_region0_2_11+libgromacs_mpi.so.7.0.00.110.110.06520.030.02/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.00121.67Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 18773 - md_support.cpp:114-157 - libgromacs_mpi.so.7.0.0 [...]+00.01040.000.000.00
○Loop 18774 - md_support.cpp:139-157 - libgromacs_mpi.so.7.0.0 [...]0.110.10.06520.030.02121.67
○Loop 18775 - md_support.cpp:132-132 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
►L__ZN17_INTERNALc686538717setupForceOutputsEP18ForceHelperBuffersN3gmx19ArrayRefWithPaddingINS2_11BasicVectorIfEEEERKNS2_22DomainLifetimeWorkloadERKNS2_12StepWorkloadEbP13gmx_wallcycle_473__par_region0_2_126+libgromacs_mpi.so.7.0.00.10.090.05520.030.02/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 19165 - sim_util.cpp:473-473 - libgromacs_mpi.so.7.0.0 [...]0.10.090.05520.030.020.00
○__libm_atan2f_l9libgromacs_mpi.so.7.0.00.10.10.06520.040.02/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0047.83
○mkl_dft_avx512_ippsFFTFwd_RToPerm_32flibmkl_avx512.so.20.10.150.06520.060.03Math (%): 100.00146.67
○__libm_sse2_sincosflibgromacs_mpi.so.7.0.00.10.080.05520.030.02/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0069.40
○compute_mg_row_bwdlibmkl_avx512.so.20.090.070.05520.030.01Math (%): 100.00230.40
►_INTERNALb293ce76::setExclusionsForIEntry(Nbnxm::GridSet const&, NbnxnPairlistCpu*, bool, int, nbnxn_ci_t const&, gmx::ListOfLists<int> const&)+libgromacs_mpi.so.7.0.00.090.090.05520.030.02/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.40Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 2702 - pairlist.cpp:607-1420 - libgromacs_mpi.so.7.0.0 [...]+0.020.020.01420.010.000.00
►Loop 2703 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7.0.0 [...]+0.050.060.03500.020.010.00
○Loop 2704 - pairlist.cpp:607-1332 - libgromacs_mpi.so.7.0.0 [...]0.020.030.01430.010.010.00
○Loop 2705 - pairlist.cpp:1252-1255 - libgromacs_mpi.so.7.0.0 [...]00.01090.010.000.00
►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNALc075c6e4::(anonymous namespace)::angles<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3]...+libgromacs_mpi.so.7.0.00.090.10.05520.030.02/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.00125.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 20932 - bonded.cpp:445-1084 - libgromacs_mpi.so.7.0.0 [...]0.090.10.05520.030.02125.00
►_INTERNAL051658ea::atoms_to_settles(gmx_domdec_t*, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::ArrayRef<std::vector<int, std::allocator<int> > const>, int, int, InteractionList*, std::vector<int, std::allocator<int&...+libgromacs_mpi.so.7.0.00.080.070.04500.030.02/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 3697 - domdec_constraints.cpp:234-282 - libgromacs_mpi.so.7.0.0 [...]+0.060.060.03500.030.020.00
►Loop 3698 - domdec_constraints.cpp:254-264 - libgromacs_mpi.so.7.0.0 [...]+0.010.020.01360.010.010.00
○Loop 3709 - hashedmap.h:277-282 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
►Loop 3703 - new_allocator.h:120-126 - libgromacs_mpi.so.7.0.0 [...]+0.010.030140.010.010.00
○Loop 3699 - vector.tcc:635-636 - libgromacs_mpi.so.7.0.0 [...]00010.000.000.00
○Loop 3700 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000020.000.000.00
►Loop 3707 - stl_vector.h:378-1919 - libgromacs_mpi.so.7.0.0 [...]+00040.000.000.00
○Loop 3708 - hashedmap.h:277-282 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 3701 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 3705 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 3710 - mtop_lookup.h:93-106 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 3702 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 3706 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 3704 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
►_INTERNAL568e5334::do_update_md(int, int, float, long, float const (*) [3], float (*) [3], float (*) [3], float const (*) [3], TemperatureCoupling, PressureCoupling, int, int, gmx::ArrayRef<unsigned short const>, bool, gmx::ArrayRef<unsigned short...+libgromacs_mpi.so.7.0.00.080.080.04520.020.01/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0069.50Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 19308 - update.cpp:361-387 - libgromacs_mpi.so.7.0.0 [...]0.080.080.04520.020.0169.50
○Loop 19309 - update.cpp:361-387 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 19311 - update.cpp:361-387 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 19310 - update.cpp:361-387 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○dih_angle(float const*, float const*, float const*, float const*, t_pbc const*, float*, float*, float*, float*, float*, int*, int*, int*)libgromacs_mpi.so.7.0.00.070.090.04520.030.02/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0073.50Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○bond_angle(float const*, float const*, float const*, t_pbc const*, float*, float*, float*, int*, int*)libgromacs_mpi.so.7.0.00.070.070.04520.030.02/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0047.75Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○gmx_fft_1d(gmx_fft*, gmx_fft_direction, void*, void*)libgromacs_mpi.so.7.0.00.070.060.04520.020.01/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.00892.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►_INTERNALb293ce76::closeIEntry(NbnxnPairlistCpu*, int, bool, float, int, int)+libgromacs_mpi.so.7.0.00.070.070.04520.020.01/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.25Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 2680 - pairlist.cpp:1981-1985 - libgromacs_mpi.so.7.0.0 [...]0.030.040.01500.010.010.00
○Loop 2681 - pairlist.cpp:1991-1995 - libgromacs_mpi.so.7.0.0 [...]0.020.030.01470.010.010.00
○Loop 2682 - pairlist.cpp:1998-2000 - libgromacs_mpi.so.7.0.00.010.010310.010.000.00
○Loop 2685 - stl_algobase.h:909-910 - libgromacs_mpi.so.7.0.000.010140.000.000.00
○Loop 2683 - vector.tcc:635-635 - libgromacs_mpi.so.7.0.0 [...]00010.000.000.00
○Loop 2686 - stl_algobase.h:909-910 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 2684 - stl_algobase.h:909-910 - libgromacs_mpi.so.7.0.000000.000.000.00
○_INTERNALc075c6e4::gmx::__regcall3__atan(_INTERNALc075c6e4::gmx::SimdFloat)libgromacs_mpi.so.7.0.00.070.060.04520.020.01/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.00680.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○_INTERNALc075c6e4::gmx::__regcall3__sincos(_INTERNALc075c6e4::gmx::SimdFloat, _INTERNALc075c6e4::gmx::SimdFloat*, _INTERNALc075c6e4::gmx::SimdFloat*)libgromacs_mpi.so.7.0.00.060.070.03520.030.02/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.001978.67Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○void _INTERNAL5738f0d5::gmx::__regcall3__transposeScatterIncrU<4>(float*, int const*, _INTERNAL5738f0d5::gmx::SimdFloat, _INTERNAL5738f0d5::gmx::SimdFloat, _INTERNAL5738f0d5::gmx::SimdFloat)libgromacs_mpi.so.7.0.00.060.070.03520.030.02/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.00305.33Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○void _INTERNAL5738f0d5::gmx::__regcall3__transposeScatterDecrU<4>(float*, int const*, _INTERNAL5738f0d5::gmx::SimdFloat, _INTERNAL5738f0d5::gmx::SimdFloat, _INTERNAL5738f0d5::gmx::SimdFloat)libgromacs_mpi.so.7.0.00.060.060.03520.020.01/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0069.33Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()+libgromacs_mpi.so.7.0.00.060.070.03500.030.02/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 5253 - threaded_force_buffer.cpp:78-80 - libgromacs_mpi.so.7.0.0 [...]+0.040.060.02490.030.010.00
○Loop 5254 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 5255 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 5252 - stl_algobase.h:909-910 - libgromacs_mpi.so.7.0.00.010.020260.010.010.00
○Loop 5250 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
►Loop 5246 - threaded_force_buffer.cpp:90-94 - libgromacs_mpi.so.7.0.0 [...]+00.01050.000.000.00
○Loop 5249 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 5248 - threaded_force_buffer.cpp:97-97 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 5251 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 5247 - threaded_force_buffer.cpp:97-97 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
►_INTERNALb293ce76::setBufferFlags(NbnxnPairlistCpu const&, int, int, std::array<unsigned long, 2ul>*, int)+libgromacs_mpi.so.7.0.00.060.050.03520.020.01/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0022.67Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 2701 - pairlist.cpp:3008-3008 - libgromacs_mpi.so.7.0.0 [...]0.020.030.01440.010.010.00
○void _INTERNALc075c6e4::gmx::__regcall3__transposeScatterDecrU<4>(float*, int const*, _INTERNALc075c6e4::gmx::SimdFloat, _INTERNALc075c6e4::gmx::SimdFloat, _INTERNALc075c6e4::gmx::SimdFloat)libgromacs_mpi.so.7.0.00.050.080.03520.020.01/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.00122.67Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○compute_mg_row_fwdlibmkl_avx512.so.20.050.050.02520.020.01Math (%): 100.00160.00
○__kmp_init_implicit_tasklibiomp5.so0.050.070.03490.030.02OMP (%): 100.000.00
►void _INTERNAL80d859f8::make_exclusions_zone<true>(gmx::ArrayRef<int const>, gmx_ga2la_t const&, gmx_domdec_zones_t const&, gmx::ArrayRef<MolblockIndices const>, std::vector<gmx_moltype_t, std::allocator<gmx_moltype_t> &g...+libgromacs_mpi.so.7.0.00.050.050.03520.020.01/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 3913 - localtopology.cpp:731-790 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
►Loop 3909 - predefined_ops.h:270-270 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
►Loop 3908 - stl_algobase.h:2063-2113 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
►Loop 3907 - localtopology.cpp:731-787 - libgromacs_mpi.so.7.0.0 [...]+0.020.030.01450.010.010.00
►Loop 3911 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7.0.0 [...]+0.030.040.02500.020.010.00
○Loop 3912 - hashedmap.h:277-282 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
►Loop 3914 - iterator_interface.hpp:166-459 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
○Loop 3916 - hashedmap.h:277-282 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 3915 - hashedmap.h:279-279 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 3910 - stl_algobase.h:2065-2065 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Unknown functionlibgromacs_mpi.so.7.0.00.050.090.03520.030.01/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.00181.00
►int _INTERNAL80d859f8::assignInteractionsForAtom<true>(AtomIndexSet const&, reverse_ilist_t const&, gmx_ga2la_t const&, gmx_domdec_zones_t const&, bool, int const*, bool, float, t_pbc const*, gmx::ArrayRef<gmx::BasicVector<float...+libgromacs_mpi.so.7.0.00.050.070.03490.040.02/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 3941 - localtopology.cpp:416-576 - libgromacs_mpi.so.7.0.0 [...]+0.030.050.02420.030.010.00
►Loop 3950 - localtopology.cpp:505-513 - libgromacs_mpi.so.7.0.0 [...]+0.010.030270.010.010.00
○Loop 3951 - hashedmap.h:277-282 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 3942 - idef.h:245-247 - libgromacs_mpi.so.7.0.0 [...]00.010140.000.000.00
○Loop 3952 - hashedmap.h:277-282 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 3943 - vector.tcc:635-635 - libgromacs_mpi.so.7.0.0 [...]00020.000.000.00
○Loop 3948 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 3946 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 3944 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000.010100.000.000.00
○Loop 3949 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 3947 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 3945 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
►copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)+libgromacs_mpi.so.7.0.00.040.040.02520.020.01/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 21435 - pme_grid.cpp:395-418 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
○Loop 21437 - pme_grid.cpp:395-404 - libgromacs_mpi.so.7.0.00.040.040.02520.020.010.00
○Loop 21436 - pme_grid.cpp:402-404 - libgromacs_mpi.so.7.0.000000.000.000.00
►_INTERNAL6f8e2c7b::divide_bondeds_over_threads(bonded_threading_t*, bool, InteractionDefinitions const&)+libgromacs_mpi.so.7.0.00.0410.0210.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 21130 - manage_threading.cpp:91-96 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 21132 - manage_threading.cpp:91-99 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
►Loop 21122 - manage_threading.cpp:195-292 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
►Loop 21134 - manage_threading.cpp:260-274 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
○Loop 21135 - manage_threading.cpp:270-274 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 21133 - manage_threading.cpp:247-247 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
►Loop 21123 - manage_threading.cpp:306-320 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
○Loop 21124 - manage_threading.cpp:313-315 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
►Loop 21125 - manage_threading.cpp:86-177 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
►Loop 21128 - manage_threading.cpp:127-170 - libgromacs_mpi.so.7.0.0 [...]+0.0410.0210.000.000.00
○Loop 21129 - manage_threading.cpp:143-146 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 21126 - manage_threading.cpp:175-177 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 21127 - manage_threading.cpp:175-177 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 21131 - manage_threading.cpp:91-99 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
►_Z8calc_viriPA3_KfS1_PA3_fbS1#omp_region_0+libgromacs_mpi.so.7.0.00.040.040.02520.020.01/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.00124.50Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 17903 - calcvir.cpp:57-120 - libgromacs_mpi.so.7.0.0 [...]+00030.010.000.00
○Loop 17904 - calcvir.cpp:61-81 - libgromacs_mpi.so.7.0.0 [...]0.030.040.02520.020.01124.00
○_INTERNALc075c6e4::gmx::__regcall3__asin(_INTERNALc075c6e4::gmx::SimdFloat)libgromacs_mpi.so.7.0.00.040.050.02520.020.01/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.00704.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○__libm_acosf_l9libgromacs_mpi.so.7.0.00.040.050.02510.020.01/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0019.50
○mkl_dft_avx512_ippsFFTInv_CCSToR_32flibmkl_avx512.so.20.040.040.02510.020.01Math (%): 100.00320.00
○kmp_flag_native<unsigned long long, (flag_type)1, true>::done_check()libiomp5.so0.040.210.02190.090.05OMP (%): 100.000.00
►atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*)+libgromacs_mpi.so.7.0.00.030.040.02510.020.01/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.50Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 18782 - mdatoms.cpp:328-497 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
►Loop 18781 - mdatoms.cpp:328-497 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
►Loop 18780 - mdatoms.cpp:328-497 - libgromacs_mpi.so.7.0.0 [...]+0.030.040.02510.020.010.50
○Loop 18783 - stl_vector.h:1143-1143 - libgromacs_mpi.so.7.0.0 [...]00020.000.000.00
►_INTERNALc6865387::postProcessForces(t_commrec const*, long, t_nrnb*, gmx_wallcycle*, float const (*) [3], gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ForceOutputs*, float (*) [3], t_mdatoms const*, t_forcerec const*, gmx::VirtualSitesHa...+libgromacs_mpi.so.7.0.00.030.060.02520.020.01/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0019.50Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 19168 - sim_util.cpp:150-150 - libgromacs_mpi.so.7.0.0 [...]0.030.060.02520.020.0119.50
○Loop 19169 - sim_util.cpp:270-287 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
►_INTERNALc226143a::energyDrift(gmx::ArrayRef<VerletbufAtomtype const>, gmx_ffparams_t const*, float, pot_derivatives_t const*, pot_derivatives_t const*, pot_derivatives_t const*, float, float, float, float)+libgromacs_mpi.so.7.0.00.030.810.0210.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0077.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 17833 - calc_verletbuf.cpp:530-721 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
○Loop 17834 - calc_verletbuf.cpp:530-721 - libgromacs_mpi.so.7.0.0 [...]0.030.810.0210.000.0077.00
○unknown_kernel_regionkernel0.030.090.02490.020.01System (%): 98.39
Math (%): 0.54
OMP (%): 0.54
MPI (%): 0.54		0.00
►gmx_fft_1d_real(gmx_fft*, gmx_fft_direction, void*, void*)+libgromacs_mpi.so.7.0.00.030.040.01500.020.01/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.00704.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 21867 - fft_mkl.cpp:483-506 - libgromacs_mpi.so.7.0.0 [...]0.010.010370.010.000.00
○mkl_serv_verbose_modelibmkl_core.so.20.030.040.02500.010.01Math (%): 100.000.00
○mkl_dft_avx512_ippsDFTInv_CCSToR_32flibmkl_avx512.so.20.030.030.01500.010.01Math (%): 100.00128.00
►void _INTERNALb293ce76::copySelectedListRange<false>(nbnxn_ci_t const*, NbnxnPairlistCpu const*, NbnxnPairlistCpu*, std::array<unsigned long, 2ul>*, int, int, int)+libgromacs_mpi.so.7.0.00.030.040.02470.020.01/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 2820 - vector.tcc:452-517 - libgromacs_mpi.so.7.0.0 [...]+00020.000.000.00
►Loop 2821 - pairlist.cpp:3624-3624 - libgromacs_mpi.so.7.0.0 [...]+0.030.040.01460.020.010.00
○Loop 2822 - stl_uninitialized.h:351-351 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 2823 - stl_uninitialized.h:351-351 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 2825 - stl_uninitialized.h:351-351 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 2824 - stl_uninitialized.h:351-351 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○__kmp_launch_threadlibiomp5.so0.030.040.02490.020.01OMP (%): 100.000.00
►gmx_fft_many_1d(gmx_fft*, gmx_fft_direction, void*, void*)+libgromacs_mpi.so.7.0.00.030.040.02520.020.01/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.00524.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 21783 - fft.cpp:115-123 - libgromacs_mpi.so.7.0.00.020.030.01520.010.011040.00
○mkl_dft_avx512_ippsDFTFwd_RToCCS_32flibmkl_avx512.so.20.030.040.01510.020.01Math (%): 100.00656.00
○_INTERNALc075c6e4::gmx::SimdFloat _INTERNALc075c6e4::gmx::__regcall3__sqrt<(MathOptimization)0>(_INTERNALc075c6e4::gmx::SimdFloat)libgromacs_mpi.so.7.0.00.030.040.01520.010.01/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.001600.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○_INTERNAL4f3e572d::__regcall3__pbc_dx_aiuc(float const*, gmx::SimdFloat const*, gmx::SimdFloat const*, gmx::SimdFloat*)libgromacs_mpi.so.7.0.00.030.060.02510.020.01/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.00640.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○__kmp_barrierlibiomp5.so0.030.040.02490.020.01OMP (%): 100.001.00
○__kmp_invoke_microtasklibiomp5.so0.020.030.01470.010.01OMP (%): 100.000.00
►void _INTERNAL4f3e572d::gmx::settleTemplate<_INTERNAL4f3e572d::gmx::SimdFloat, _INTERNAL4f3e572d::gmx::SimdFBool, 16, float const*, true, true>(_INTERNAL4f3e572d::gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*...+libgromacs_mpi.so.7.0.00.020.020.01500.010.01/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.00720.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 19099 - settle.cpp:423-674 - libgromacs_mpi.so.7.0.0 [...]+0.020.020.01490.010.01720.00
○Loop 19098 - settle.cpp:661-673 - libgromacs_mpi.so.7.0.0 [...]00040.000.000.00
○__kmp_invoke_task_funclibiomp5.so0.020.040.01420.010.01OMP (%): 100.001.00
○__kmp_join_barrier(int)libiomp5.so0.020.040.01460.010.01OMP (%): 100.000.00
○compute_1d_small_bwdlibmkl_avx512.so.20.020.030.01510.010.01Math (%): 100.00880.00
○compute_1d_small_fwdlibmkl_avx512.so.20.020.030.01500.010.01Math (%): 100.00576.00
►void _INTERNALb293ce76::copySelectedListRange<true>(nbnxn_ci_t const*, NbnxnPairlistCpu const*, NbnxnPairlistCpu*, std::array<unsigned long, 2ul>*, int, int, int)+libgromacs_mpi.so.7.0.00.020.030.01380.020.01/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 2814 - vector.tcc:452-517 - libgromacs_mpi.so.7.0.0 [...]+00030.000.000.00
►Loop 2815 - pairlist.cpp:3624-3635 - libgromacs_mpi.so.7.0.0 [...]+0.020.020.01370.010.010.00
○Loop 2817 - stl_uninitialized.h:351-351 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 2816 - stl_uninitialized.h:351-351 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 2818 - stl_uninitialized.h:351-351 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 2819 - stl_uninitialized.h:351-351 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
►float _INTERNALc075c6e4::(anonymous namespace)::idihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*, gmx::ArrayRef<float const>, t_fcdata*, t_disresdata*...+libgromacs_mpi.so.7.0.00.020.060.01290.040.02/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.00102.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 20860 - bonded.cpp:1822-2327 - libgromacs_mpi.so.7.0.0 [...]0.020.060.01280.040.02100.00
○__kmpc_for_static_init_4ulibiomp5.so0.020.040.01420.020.01OMP (%): 100.000.00
►L__ZN17_INTERNAL1bba75523gmx18lincs_thread_setupEPNS0_5LincsEi_1695__par_region2_2_84+libgromacs_mpi.so.7.0.00.020.040.01450.020.01/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 18683 - lincs.cpp:1696-1715 - libgromacs_mpi.so.7.0.0 [...]+00.01010.000.000.00
○Loop 18684 - stl_iterator.h:1240-1240 - libgromacs_mpi.so.7.0.0 [...]0.010.020270.010.000.00
►Loop 18681 - lincs.cpp:1637-1658 - libgromacs_mpi.so.7.0.0 [...]+00010.000.000.00
○Loop 18682 - lincs.cpp:1652-1658 - libgromacs_mpi.so.7.0.0 [...]0.010.030.01370.010.010.00
►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNALc075c6e4::(anonymous namespace)::rbdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3]...+libgromacs_mpi.so.7.0.00.020.060.01270.030.02/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0085.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 20947 - bonded.cpp:129-3032 - libgromacs_mpi.so.7.0.0 [...]0.020.060.01270.030.0285.00
►_INTERNAL01945b58::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_mdato...+libgromacs_mpi.so.7.0.00.020.020.01430.010.01/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.001.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 21104 - listed_forces.cpp:386-445 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
►Loop 21105 - listed_forces.cpp:386-445 - libgromacs_mpi.so.7.0.0 [...]+00070.000.000.00
○Loop 21103 - listed_forces.cpp:419-445 - libgromacs_mpi.so.7.0.0 [...]0.010.020.01350.010.001.00
►std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNALc075c6e4::(anonymous namespace)::rbdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc co...+libgromacs_mpi.so.7.0.00.020.040.01300.020.01/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.00124.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 20857 - bonded.cpp:2179-2256 - libgromacs_mpi.so.7.0.0 [...]0.020.040.01300.020.01124.00
►_INTERNAL5ce61142::Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>)+libgromacs_mpi.so.7.0.00.020.040.01350.020.01/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.004.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 1994 - grid.cpp:415-420 - libgromacs_mpi.so.7.0.00.020.030.01340.010.010.00
►Loop 1991 - grid.cpp:329-408 - libgromacs_mpi.so.7.0.0 [...]+0.010.020200.010.000.00
○Loop 1995 - grid.cpp:385-389 - libgromacs_mpi.so.7.0.0 [...]00.01050.010.000.00
○Loop 1996 - grid.cpp:397-402 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 1992 - grid.cpp:437-437 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 1993 - grid.cpp:426-431 - libgromacs_mpi.so.7.0.000000.000.000.00
►void _INTERNALb293ce76::get_cell_range<1>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*)+libgromacs_mpi.so.7.0.00.020.030.01470.010.01/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0021.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 2679 - pairlist.cpp:272-276 - libgromacs_mpi.so.7.0.000.010220.010.000.00
○Loop 2678 - pairlist.cpp:281-285 - libgromacs_mpi.so.7.0.000.010250.000.000.00
○__kmpc_for_static_init_8ulibiomp5.so0.010.020240.010.00OMP (%): 100.000.00
►L__ZN3gmx11Constraints4Impl5applyEbblifNS_19ArrayRefWithPaddingINS_11BasicVectorIfEEEES5_NS_8ArrayRefIS4_EEPA3_KffPfS5_bPA3_fNS_18ConstraintVariableE_587__par_region0_2_174+libgromacs_mpi.so.7.0.00.010.010250.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 17979 - constr.cpp:587-607 - libgromacs_mpi.so.7.0.0 [...]00.010120.000.000.00
►L__ZN17_INTERNALc686538717setupForceOutputsEP18ForceHelperBuffersN3gmx19ArrayRefWithPaddingINS2_11BasicVectorIfEEEERKNS2_22DomainLifetimeWorkloadERKNS2_12StepWorkloadEbP13gmx_wallcycle_473__par_region4_2_128+libgromacs_mpi.so.7.0.00.010.020.01430.010.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 19163 - sim_util.cpp:473-473 - libgromacs_mpi.so.7.0.0 [...]0.010.020.01420.010.000.00
○L__ZN3gmx15constrain_lincsEbRK10t_inputreclPNS_5LincsENS_8ArrayRefIKfEEPK9t_commrecPK14gmx_multisim_tNS_19ArrayRefWithPaddingIKNS_11BasicVectorIfEEEENSE_ISG_EENS5_ISG_EEPA3_S6_P5t_pbcbfPffSK_bPA3_fNS_18ConstraintVariableEP6t_nrnbiPi_2483__par_region0_2_21libgromacs_mpi.so.7.0.00.010.020.01370.010.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.001.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►set_pbc_simd(t_pbc const*, float*)+libgromacs_mpi.so.7.0.00.010.020240.010.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 5621 - pbc_simd.cpp:59-61 - libgromacs_mpi.so.7.0.000060.000.000.00
○__kmpc_for_static_finilibiomp5.so0.010.010280.010.00OMP (%): 100.000.00
►globalAtomIndexToMoltypeIndices(gmx::ArrayRef<MolblockIndices const>, int)+libgromacs_mpi.so.7.0.00.010.010320.010.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 4308 - reversetopology.cpp:140-147 - libgromacs_mpi.so.7.0.0 [...]00.01060.000.000.00
○void __kmp_dispatch_deo<unsigned int>(int*, int*, ident*)libiomp5.so0.010.010.01510.000.00OMP (%): 100.000.00
►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.7.0.00.010.020.01380.010.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 4010 - stl_algobase.h:383-385 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 4013 - stl_algobase.h:383-385 - libgromacs_mpi.so.7.0.000.010100.000.000.00
○Loop 4012 - stl_algobase.h:383-385 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 4011 - stl_algobase.h:383-385 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 4014 - stl_algobase.h:383-385 - libgromacs_mpi.so.7.0.000000.000.000.00
○__kmp_fork_barrier(int, int)libiomp5.so0.010.010280.010.00OMP (%): 100.000.00
►_INTERNAL83cfe191::make_dd_indices(gmx_domdec_t*, int)+libgromacs_mpi.so.7.0.00.010.15010.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 4193 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 4194 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 4188 - vector.tcc:635-635 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 4182 - partition.cpp:505-505 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 4192 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 4189 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
►Loop 4183 - partition.cpp:511-533 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
►Loop 4184 - partition.cpp:511-533 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
►Loop 4185 - partition.cpp:525-533 - libgromacs_mpi.so.7.0.0 [...]+0.010.15010.000.000.00
○Loop 4186 - hashedmap.h:187-189 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 4187 - hashedmap.h:167-169 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 4190 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 4191 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
○__kmp_yieldlibiomp5.so0.010.010240.000.00OMP (%): 100.000.00
►_INTERNAL80d859f8::atomInMolblockFromGlobalAtomnr(gmx::ArrayRef<MolblockIndices const>, int)+libgromacs_mpi.so.7.0.00.010.010350.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 3927 - stl_algo.h:571-583 - libgromacs_mpi.so.7.0.0 [...]00.010110.000.000.00
○_INTERNALb293ce76::makeClusterListWrapper(NbnxnPairlistCpu*, Nbnxm::Grid const&, int, Nbnxm::Grid const&, int, int, bool, nbnxn_atomdata_t const*, float, float, ClusterDistanceKernelType, int*)libgromacs_mpi.so.7.0.00.010.030.01410.010.01/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.003.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○mkl_serv_verbose_mode@pltlibmkl_intel_lp64.so.20.010.020300.010.00Math (%): 100.000.00
►void _INTERNAL83cfe191::orderVector<gmx::BasicVector<float> >(gmx::ArrayRef<gmx_cgsort const>, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >)+libgromacs_mpi.so.7.0.00.010.24010.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 4134 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7.0.0 [...]0.010.18010.000.000.00
○Loop 4133 - stl_algobase.h:383-385 - libgromacs_mpi.so.7.0.0 [...]00.05010.000.000.00
►_INTERNAL5ce61142::Nbnxm::sort_cluster_on_flag(int, int, int, gmx::ArrayRef<long const>, gmx::ArrayRef<int>, int*)+libgromacs_mpi.so.7.0.00.010.030.01310.010.01/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 1980 - grid.cpp:816-868 - libgromacs_mpi.so.7.0.0 [...]+00.010110.000.000.00
○Loop 1983 - grid.cpp:823-834 - libgromacs_mpi.so.7.0.00.010.010210.010.000.00
○Loop 1982 - grid.cpp:851-853 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 1981 - grid.cpp:855-857 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 1984 - grid.cpp:825-825 - libgromacs_mpi.so.7.0.000.01050.000.000.00
►_INTERNAL3b86f157::calc_cg_move(_IO_FILE*, long, gmx_domdec_t*, t_state*, int const*, float (*) [3], float const*, float const*, MoveLimits const&, int, int, gmx::ArrayRef<int>)+libgromacs_mpi.so.7.0.00.010.010300.010.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 4287 - redistribute.cpp:74-428 - libgromacs_mpi.so.7.0.0 [...]+00.010150.000.000.00
►Loop 4286 - redistribute.cpp:349-421 - libgromacs_mpi.so.7.0.0 [...]+00.010230.000.000.00
○Loop 4290 - redistribute.cpp:414-416 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 4289 - redistribute.cpp:419-421 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 4288 - redistribute.cpp:74-312 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 4291 - redistribute.cpp:214-414 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○void std::allocator_traits<gmx::Allocator<float, gmx::AlignedAllocationPolicy> >::_S_destroy<gmx::Allocator<float, gmx::AlignedAllocationPolicy>, float>(gmx::Allocator<float, gmx::AlignedAllocationPolicy>&, float*, ...)libgromacs_mpi.so.7.0.00.010.310.0110.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►L__Z10gmx_pme_doP9gmx_pme_tN3gmx8ArrayRefIKNS1_11BasicVectorIfEEEENS2_IS4_EENS2_IKfEES9_S9_S9_S9_S9_PA3_S8_PK9t_commreciiP6t_nrnbP13gmx_wallcyclePA3_fSK_PfSL_ffSL_SL_RKNS1_12StepWorkloadE_1401__par_region1_2_70+libgromacs_mpi.so.7.0.00.010.020280.010.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 21286 - pme.cpp:1446-1677 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
○Loop 21288 - pme.cpp:1498-1500 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 21284 - pme.cpp:1509-1562 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 21289 - pme.cpp:1491-1493 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 21285 - pme.cpp:1603-1675 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 21287 - stl_vector.h:378-1934 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 21282 - pme.cpp:1181-1184 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 21283 - pme.cpp:1448-1449 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 21291 - pme.cpp:1402-1411 - libgromacs_mpi.so.7.0.0 [...]00010.000.000.00
○Loop 21290 - pme.cpp:1683-1698 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
►Nbnxm::Grid::calcColumnIndices(Nbnxm::Grid::Dimensions const&, gmx::UpdateGroupsCog const*, gmx::Range<int>, gmx::ArrayRef<gmx::BasicVector<float> const>, int, int const*, int, int, gmx::ArrayRef<int>, gmx::ArrayRef<int>)+libgromacs_mpi.so.7.0.00.010.010280.010.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 2005 - grid.cpp:1241-1311 - libgromacs_mpi.so.7.0.0 [...]0.010.010280.010.000.00
○Loop 2004 - grid.cpp:1241-1344 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 2006 - grid.cpp:1259-1261 - libgromacs_mpi.so.7.0.000000.000.000.00
►L__Z31nbnxn_atomdata_copy_x_to_nbat_xRKN5Nbnxm7GridSetEN3gmx12AtomLocalityEPA3_KfP16nbnxn_atomdata_t_993__par_region0_2_45+libgromacs_mpi.so.7.0.00.010.020.01390.010.01/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 1567 - atomdata.cpp:994-1011 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
►Loop 1568 - atomdata.cpp:998-1011 - libgromacs_mpi.so.7.0.0 [...]+00.010130.000.000.00
○Loop 1569 - atomdata.cpp:1006-1011 - libgromacs_mpi.so.7.0.0 [...]0.010.010270.000.000.00
►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.7.0.00.010.030.01350.010.01/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 2874 - stl_algobase.h:909-910 - libgromacs_mpi.so.7.0.00.010.030.01340.010.010.00
○Loop 2875 - stl_algobase.h:909-910 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 2872 - stl_algobase.h:909-910 - libgromacs_mpi.so.7.0.000.01020.000.000.00
○Loop 2873 - stl_algobase.h:909-910 - libgromacs_mpi.so.7.0.000000.000.000.00
○__sched_yieldlibc.so.60.010.010240.010.00System (%): 100.000.00
►gmx::ThreadedForceBuffer<float [4]>::setupReduction()+libgromacs_mpi.so.7.0.00.010.350.0110.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 5285 - vector.tcc:452-695 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
○Loop 5290 - stl_algobase.h:909-910 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 5288 - vector.tcc:635-635 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 5289 - stl_algobase.h:909-910 - libgromacs_mpi.so.7.0.000000.000.000.00
►Loop 5281 - threaded_force_buffer.cpp:272-301 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
○Loop 5287 - threaded_force_buffer.cpp:278-280 - libgromacs_mpi.so.7.0.0 [...]0.010.330.0110.000.000.00
○Loop 5283 - stl_iterator.h:294-453 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 5284 - threaded_force_buffer.cpp:290-294 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 5286 - threaded_force_buffer.cpp:278-280 - libgromacs_mpi.so.7.0.0 [...]00.02010.000.000.00
○Loop 5291 - stl_iterator.h:1107-1240 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 5282 - basic_string.h:252-393 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○__libm_exp_l9libgromacs_mpi.so.7.0.00.010.2010.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00
►gmx_fft_many_1d_real(gmx_fft*, gmx_fft_direction, void*, void*)+libgromacs_mpi.so.7.0.00.010.020.01460.010.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.00704.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 21784 - fft.cpp:132-140 - libgromacs_mpi.so.7.0.00.010.020450.010.000.00
►gmx::ThreadForceBuffer<float [4]>::resizeBufferAndClearMask(int)+libgromacs_mpi.so.7.0.00.010.020270.010.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 5233 - threaded_force_buffer.cpp:122-122 - libgromacs_mpi.so.7.0.0 [...]0.010.020250.010.000.00
○Loop 5234 - alloc_traits.h:378-835 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 5242 - stl_uninitialized.h:748-748 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 5239 - stl_uninitialized.h:1091-1091 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 5244 - stl_algobase.h:909-910 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 5236 - stl_uninitialized.h:748-748 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 5237 - stl_uninitialized.h:748-748 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 5235 - vector.tcc:635-635 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 5240 - stl_uninitialized.h:748-748 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 5238 - stl_uninitialized.h:748-748 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 5243 - stl_algobase.h:909-910 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 5241 - stl_uninitialized.h:748-748 - libgromacs_mpi.so.7.0.0 [...]00040.000.000.00
○_dl_deallocate_tlsld-linux-x86-64.so.20.010.010240.000.00OMP (%): 100.000.00
►_INTERNALb293ce76::reduce_buffer_flags(gmx::ArrayRef<PairsearchWork>, int, gmx::ArrayRef<std::array<unsigned long, 2ul> >)+libgromacs_mpi.so.7.0.00.010.15010.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 2826 - pairlist.cpp:3539-3546 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
○Loop 2827 - pairlist.cpp:3543-3546 - libgromacs_mpi.so.7.0.0 [...]0.010.15010.000.000.00
►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.7.0.00.010.020.01320.010.01/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.00208.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 1972 - grid.cpp:476-483 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 1978 - grid.cpp:921-923 - libgromacs_mpi.so.7.0.0 [...]00.01050.000.000.00
○Loop 1976 - grid.cpp:531-538 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 1979 - grid.cpp:911-915 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 1975 - grid.cpp:531-538 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 1974 - grid.cpp:598-605 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 1977 - grid.cpp:504-511 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 1973 - grid.cpp:633-633 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○__kmp_enter_singlelibiomp5.so0.010.030.01400.010.00OMP (%): 100.000.00
►__intel_avx_memmove+gmx_mpi0.010.22020.280.15Memory (%): 100.000.00
○Loop 67 - - gmx_mpi00000.000.000.00
○Loop 115 - - gmx_mpi00010.000.000.00
○Loop 92 - - gmx_mpi00000.000.000.00
○Loop 83 - - gmx_mpi00000.000.000.00
○Loop 80 - - gmx_mpi00000.000.000.00
○Loop 105 - - gmx_mpi00000.000.000.00
○Loop 79 - - gmx_mpi00000.000.000.00
○Loop 68 - - gmx_mpi00000.000.000.00
○Loop 108 - - gmx_mpi00000.000.000.00
○Loop 106 - - gmx_mpi00000.000.000.00
○Loop 123 - - gmx_mpi00.02010.000.000.00
○Loop 60 - - gmx_mpi00000.000.000.00
○Loop 107 - - gmx_mpi00.04010.000.000.00
○Loop 122 - - gmx_mpi00000.000.000.00
○Loop 96 - - gmx_mpi00000.000.000.00
○Loop 117 - - gmx_mpi00000.000.000.00
○Loop 61 - - gmx_mpi00000.000.000.00
○Loop 64 - - gmx_mpi00000.000.000.00
○Loop 104 - - gmx_mpi00000.000.000.00
○Loop 93 - - gmx_mpi00000.000.000.00
○Loop 69 - - gmx_mpi00000.000.000.00
○Loop 109 - - gmx_mpi00000.000.000.00
○Loop 98 - - gmx_mpi00000.000.000.00
○Loop 112 - - gmx_mpi00000.000.000.00
○Loop 110 - - gmx_mpi00000.000.000.00
○Loop 119 - - gmx_mpi00.02010.000.000.00
○Loop 99 - - gmx_mpi00.03010.000.000.00
○Loop 82 - - gmx_mpi00000.000.000.00
○Loop 118 - - gmx_mpi00000.000.000.00
○Loop 125 - - gmx_mpi00000.000.000.00
○Loop 124 - - gmx_mpi00000.000.000.00
○Loop 102 - - gmx_mpi00000.000.000.00
○Loop 75 - - gmx_mpi00000.000.000.00
○Loop 114 - - gmx_mpi00000.000.000.00
○Loop 95 - - gmx_mpi00.01010.000.000.00
○Loop 73 - - gmx_mpi00000.000.000.00
○Loop 113 - - gmx_mpi00000.000.000.00
○Loop 87 - - gmx_mpi00000.000.000.00
○Loop 91 - - gmx_mpi00000.000.000.00
○Loop 103 - - gmx_mpi00.03010.000.000.00
○Loop 78 - - gmx_mpi00000.000.000.00
○Loop 70 - - gmx_mpi00000.000.000.00
○Loop 111 - - gmx_mpi00.03010.000.000.00
○Loop 88 - - gmx_mpi00000.000.000.00
○Loop 66 - - gmx_mpi00000.000.000.00
○Loop 89 - - gmx_mpi00.01020.000.000.00
○Loop 77 - - gmx_mpi00000.000.000.00
○Loop 81 - - gmx_mpi00000.000.000.00
○Loop 90 - - gmx_mpi00000.000.000.00
○Loop 76 - - gmx_mpi00000.000.000.00
○Loop 84 - - gmx_mpi00000.000.000.00
○Loop 101 - - gmx_mpi00000.000.000.00
○Loop 71 - - gmx_mpi00000.000.000.00
○Loop 65 - - gmx_mpi00000.000.000.00
○Loop 94 - - gmx_mpi00000.000.000.00
○Loop 72 - - gmx_mpi00000.000.000.00
○Loop 59 - - gmx_mpi00000.000.000.00
○Loop 74 - - gmx_mpi00000.000.000.00
○Loop 62 - - gmx_mpi00000.000.000.00
○Loop 100 - - gmx_mpi00000.000.000.00
○Loop 85 - - gmx_mpi00000.000.000.00
○Loop 58 - - gmx_mpi00000.000.000.00
○Loop 120 - - gmx_mpi00000.000.000.00
○Loop 63 - - gmx_mpi00000.000.000.00
○Loop 86 - - gmx_mpi00000.000.000.00
○Loop 97 - - gmx_mpi00000.000.000.00
○Loop 121 - - gmx_mpi00000.000.000.00
○Loop 116 - - gmx_mpi00000.000.000.00
►_INTERNAL1bba7552::gmx::set_matrix_indices(_INTERNAL1bba7552::gmx::Lincs*, _INTERNAL1bba7552::gmx::Task const&, _INTERNAL1bba7552::gmx::ListOfLists<int> const&, bool)+libgromacs_mpi.so.7.0.00.010.030.01370.010.01/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 18685 - lincs.cpp:1936-1962 - libgromacs_mpi.so.7.0.0 [...]+0.010.010200.000.000.00
►Loop 18688 - stl_heap.h:139-422 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
○Loop 18689 - stl_heap.h:140-144 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 18690 - stl_heap.h:229-236 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 18696 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7.0.0 [...]00.010190.010.000.00
►Loop 18693 - stl_algo.h:1867-1922 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
►Loop 18692 - stl_iterator.h:1107-1257 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
○Loop 18694 - predefined_ops.h:45-45 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 18695 - predefined_ops.h:45-45 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
►Loop 18686 - stl_algo.h:1786-1829 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
○Loop 18687 - predefined_ops.h:98-98 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 18697 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7.0.0 [...]00.030130.010.010.00
○Loop 18691 - stl_heap.h:356-360 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
►setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&)+libgromacs_mpi.so.7.0.00.010.020.01330.010.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 21119 - manage_threading.cpp:336-397 - libgromacs_mpi.so.7.0.0 [...]+00010.000.000.00
►Loop 21118 - manage_threading.cpp:351-367 - libgromacs_mpi.so.7.0.0 [...]+00010.000.000.00
►Loop 21120 - manage_threading.cpp:363-367 - libgromacs_mpi.so.7.0.0 [...]+000120.000.000.00
○Loop 21121 - manage_threading.cpp:365-367 - libgromacs_mpi.so.7.0.0 [...]0.010.020290.010.000.00
►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.7.0.00.010.020280.010.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 19299 - update.cpp:932-1813 - libgromacs_mpi.so.7.0.0 [...]+00030.000.000.00
►Loop 19300 - update.cpp:932-1813 - libgromacs_mpi.so.7.0.0 [...]+00.010160.000.000.00
○Loop 19301 - update.cpp:949-1697 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 19302 - update.cpp:1667-1667 - libgromacs_mpi.so.7.0.000000.000.000.00
○_INTERNAL1bba7552::gmx::lincs_update_atoms(_INTERNAL1bba7552::gmx::Lincs*, int, float, _INTERNAL1bba7552::gmx::ArrayRef<float const>, _INTERNAL1bba7552::gmx::ArrayRef<_INTERNAL1bba7552::gmx::BasicVector<float> const>, _INTERNAL1bba7552::g...libgromacs_mpi.so.7.0.00.010.020260.010.01/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○_INTERNAL01945b58::(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_grppa...libgromacs_mpi.so.7.0.00.010.020.01330.010.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.004.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►void _INTERNALb293ce76::get_cell_range<0>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*)+libgromacs_mpi.so.7.0.00.010.020.01450.010.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0035.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
○Loop 2688 - pairlist.cpp:272-276 - libgromacs_mpi.so.7.0.000.010120.010.000.00
○Loop 2687 - pairlist.cpp:281-285 - libgromacs_mpi.so.7.0.000.010280.010.000.00
○__kmp_finish_implicit_tasklibiomp5.so0.010.010290.000.00OMP (%): 100.000.00
►_INTERNAL1bba7552::gmx::set_lincs_matrix_task(_INTERNAL1bba7552::gmx::Lincs*, _INTERNAL1bba7552::gmx::Task*, _INTERNAL1bba7552::gmx::ArrayRef<float const>, int*, int*)+libgromacs_mpi.so.7.0.00.010.020310.010.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 18665 - lincs.cpp:1251-1324 - libgromacs_mpi.so.7.0.0 [...]+00.01070.000.000.00
►Loop 18666 - lincs.cpp:1255-1324 - libgromacs_mpi.so.7.0.0 [...]+0.010.010280.010.000.00
○Loop 18667 - stl_vector.h:1124-1124 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○__kmpc_barrierlibiomp5.so0.010.020.01370.010.00OMP (%): 100.0032.00
○__libm_expf_l9libgromacs_mpi.so.7.0.00.010.17010.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00
►L__ZN17_INTERNAL53d1705a16nbnxn_kernel_cpuERK11PairlistSetRKN5Nbnxm11KernelSetupEP16nbnxn_atomdata_tRK19interaction_const_tN3gmx8ArrayRefIKNSC_11BasicVectorIfEEEERKNSC_12StepWorkloadEiPfSL_P13gmx_wallcycle_265__par_region0_2_20+libgromacs_mpi.so.7.0.00.010.010280.010.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 2133 - kerneldispatch.cpp:83-375 - libgromacs_mpi.so.7.0.0 [...]+00.010130.000.000.00
○Loop 2145 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 2146 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
►Loop 2136 - kerneldispatch.cpp:114-126 - libgromacs_mpi.so.7.0.0+00000.000.000.00
►Loop 2135 - kerneldispatch.cpp:116-126 - libgromacs_mpi.so.7.0.0+00000.000.000.00
○Loop 2134 - kerneldispatch.cpp:118-126 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 2143 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
►Loop 2138 - kerneldispatch.cpp:114-126 - libgromacs_mpi.so.7.0.0+00000.000.000.00
►Loop 2137 - kerneldispatch.cpp:116-126 - libgromacs_mpi.so.7.0.0+00000.000.000.00
○Loop 2139 - kerneldispatch.cpp:118-126 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 2140 - kerneldispatch.cpp:118-126 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 2141 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 2147 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 2144 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 2142 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 2148 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
○mkl_dft_avx512_transfer_ipp_mkl_errorlibmkl_avx512.so.20.010.010470.010.00Math (%): 100.000.00
○__libm_erfcf_exlibgromacs_mpi.so.7.0.00.010.23010.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00
○_INTERNALb293ce76::icell_set_x_simd_2xnn(int, float, float, float, int, float const*, NbnxnPairlistCpuWork*)libgromacs_mpi.so.7.0.00.010.010260.010.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►int _INTERNAL80d859f8::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&, b...+libgromacs_mpi.so.7.0.00.010.020240.010.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 3962 - range.h:84-88 - libgromacs_mpi.so.7.0.0 [...]+0.010.020240.010.000.00
►Loop 3963 - localtopology.cpp:605-683 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
○Loop 3964 - vector.tcc:635-635 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 3967 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 3968 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 3970 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 3965 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 3966 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
○Loop 3969 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
►_INTERNAL051658ea::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.7.0.00.010.320.0110.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/eoseret/GROMACS/gromacs-2022.4/src/include -I/home/eoseret/GROMACS/build/icc/src/include -I/home/eoseret/GROMACS/gromacs-2022...
►Loop 3711 - domdec_constraints.cpp:314-375 - libgromacs_mpi.so.7.0.0 [...]+0.010.16010.000.000.00
►Loop 3712 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7.0.0 [...]+0.010.15010.000.000.00
○Loop 3713 - hashedmap.h:277-282 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
○Loop 3714 - mtop_lookup.h:93-106 - libgromacs_mpi.so.7.0.0 [...]00010.000.000.00
×