options

Functions and Loops

70 loops and 88 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 run_0 (%) Max Time Over Threads run_0 (s) Time w.r.t. Wall Time run_0 (s) Nb Threads run_0 Deviation (coverage) run_0 Deviation (walltime) run_0 Categories run_0 GFLOPS run_0 Compilation Options
NameModuleCoverage run_0 (%)Max Time Over Threads run_0 (s)Time w.r.t. Wall Time run_0 (s)Nb Threads run_0Deviation (coverage) run_0Deviation (walltime) run_0Categories run_0GFLOPS run_0Compilation 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.7.0.051.38141.07141.0710.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0052.48Intel(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 [...]+1.273.493.4910.000.0022.76
Loop 987 - kernel_outer.h:547-547 - libgromacs_mpi.so.7.0.0 [...]33.5592.1292.1210.000.0053.68
Loop 985 - kernel_outer.h:565-565 - libgromacs_mpi.so.7.0.0 [...]12.5134.3434.3410.000.0055.13
Loop 988 - kernel_outer.h:541-544 - libgromacs_mpi.so.7.0.0 [...]1.514.154.1510.000.0043.16
Loop 986 - kernel_outer.h:559-562 - libgromacs_mpi.so.7.0.0 [...]1.263.463.4610.000.0047.82
Loop 983 - kernel_outer.h:581-581 - libgromacs_mpi.so.7.0.0 [...]1.153.153.1510.000.0040.43
Loop 984 - kernel_outer.h:575-578 - libgromacs_mpi.so.7.0.0 [...]0.130.360.3510.000.0040.23
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.7.0.07.7621.3121.3110.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0059.62Intel(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 [...]+0.180.50.510.000.0037.12
Loop 994 - kernel_outer.h:547-547 - libgromacs_mpi.so.7.0.0 [...]5.0613.913.910.000.0060.18
Loop 992 - kernel_outer.h:565-565 - libgromacs_mpi.so.7.0.0 [...]1.925.265.2610.000.0064.21
Loop 995 - kernel_outer.h:541-544 - libgromacs_mpi.so.7.0.0 [...]0.210.590.5910.000.0044.88
Loop 993 - kernel_outer.h:559-562 - libgromacs_mpi.so.7.0.0 [...]0.20.560.5610.000.0050.71
Loop 990 - kernel_outer.h:581-581 - libgromacs_mpi.so.7.0.0 [...]0.160.450.4510.000.0045.69
Loop 991 - kernel_outer.h:575-578 - libgromacs_mpi.so.7.0.0 [...]0.020.060.0610.000.0034.67
fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)+libgromacs_mpi.so.7.0.04.913.4513.4510.000.00/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 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
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 21794 - fft5d.cpp:786-1420 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
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.7.0.000000.000.000.00
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 [...]+00000.000.000.00
Loop 21805 - fft5d.cpp:835-886 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
Loop 21806 - fft5d.cpp:835-886 - libgromacs_mpi.so.7.0.0 [...]+0.140.380.3810.000.000.00
Loop 21809 - fft5d.cpp:884-886 - libgromacs_mpi.so.7.0.03.519.639.6310.000.000.00
Loop 21808 - fft5d.cpp:884-886 - libgromacs_mpi.so.7.0.00.030.090.0910.000.000.00
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 [...]+00000.000.000.00
Loop 21812 - fft5d.cpp:899-1382 - libgromacs_mpi.so.7.0.0 [...]+0.010.010.0110.000.000.00
Loop 21813 - fft5d.cpp:899-1382 - libgromacs_mpi.so.7.0.0 [...]+0.150.40.410.000.000.00
Loop 21816 - fft5d.cpp:947-949 - libgromacs_mpi.so.7.0.01.052.882.8810.000.000.00
Loop 21815 - fft5d.cpp:947-949 - libgromacs_mpi.so.7.0.00.010.020.0210.000.000.00
Loop 21817 - fft5d.cpp:947-949 - libgromacs_mpi.so.7.0.00.010.020.0210.000.000.00
Loop 21814 - fft5d.cpp:947-949 - libgromacs_mpi.so.7.0.000000.000.000.00
gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)+libgromacs_mpi.so.7.0.04.7513.0513.0510.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0018.65Intel(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 [...]+2.87.697.6910.000.0022.48
Loop 21401 - impl_x86_avx_512_util_float.h:493-493 - libgromacs_mpi.so.7.0.0 [...]1.955.365.3610.000.0013.15
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
_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.7.0.03.549.729.7210.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.006.84Intel(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 [...]+00000.000.000.00
Loop 18653 - lincs.cpp:276-287 - libgromacs_mpi.so.7.0.0 [...]+2.627.187.1810.000.006.34
Loop 18654 - lincs.cpp:282-284 - libgromacs_mpi.so.7.0.00.922.532.5310.000.008.30
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
_INTERNALae0e43be::spread_coefficients_bsplines_thread(pmegrid_t const*, PmeAtomComm const*, splinedata_t*, pme_spline_work*)+libgromacs_mpi.so.7.0.02.526.936.9310.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.005.62Intel(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 [...]+2.526.926.9210.000.005.63
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
_INTERNALae0e43be::make_bsplines(float**, float**, int, float (*) [3], int, int const*, float const*, bool)+libgromacs_mpi.so.7.0.02.396.556.5510.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.005.31Intel(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 [...]+2.396.556.5510.000.005.31
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
_INTERNALb293ce76::makeClusterListSimd2xnn(Nbnxm::Grid const&, NbnxnPairlistCpu*, int, int, int, bool, float const*, float, float, int*)+libgromacs_mpi.so.7.0.01.092.992.9910.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.005.91Intel(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 [...]0.691.891.8910.000.004.83
Loop 2692 - pairlist_simd_2xmm.h:185-231 - libgromacs_mpi.so.7.0.0 [...]0.160.440.4410.000.007.18
Loop 2691 - pairlist_simd_2xmm.h:237-242 - libgromacs_mpi.so.7.0.0 [...]0.080.220.2210.000.008.00
_INTERNALae0e43be::calc_interpolation_idx(gmx_pme_t const*, PmeAtomComm*, int, int, int, int)+libgromacs_mpi.so.7.0.00.92.482.4810.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.002.40Intel(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 21729 - pme_spread.cpp:104-133 - libgromacs_mpi.so.7.0.0 [...]0.92.482.4810.000.002.40
Loop 21727 - 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
Loop 21722 - pme_spread.cpp:165-167 - libgromacs_mpi.so.7.0.000000.000.000.00
Loop 21728 - pme_spread.cpp:154-156 - libgromacs_mpi.so.7.0.000000.000.000.00
Loop 21719 - pme_spread.cpp:104-145 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
Loop 21720 - pme_spread.cpp:172-174 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
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.7.0.000000.000.000.00
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 21721 - pme_spread.cpp:172-174 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
nbnxn_kernel_prune_2xnn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)+libgromacs_mpi.so.7.0.00.892.452.4510.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0046.56Intel(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 1496 - kernel_prune.cpp:76-158 - libgromacs_mpi.so.7.0.0 [...]+0.030.090.0910.000.0040.89
Loop 1497 - kernel_prune.cpp:109-151 - libgromacs_mpi.so.7.0.0 [...]0.862.372.3710.000.0046.58
__intel_skx_avx512_memcpy+gmx_mpi0.892.432.4310.000.00Memory (%): 100.000.00
Loop 127 - - gmx_mpi00000.000.000.00
Loop 126 - - gmx_mpi00.010.0110.000.000.00
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.7.0.00.892.462.4610.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.56Intel(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 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 [...]+00000.000.000.00
Loop 2665 - pairlist.cpp:2223-3512 - libgromacs_mpi.so.7.0.0 [...]+0.010.010.0110.000.000.00
Loop 2667 - pairlist.cpp:2223-3507 - libgromacs_mpi.so.7.0.0 [...]+0.010.010.0110.000.001.00
Loop 2668 - pairlist.cpp:2223-3507 - libgromacs_mpi.so.7.0.0 [...]+0.010.030.0310.000.001.00
Loop 2669 - pairlist.cpp:2223-3507 - libgromacs_mpi.so.7.0.0 [...]+0.040.110.1110.000.000.09
Loop 2670 - pairlist.cpp:2966-3474 - libgromacs_mpi.so.7.0.0 [...]+0.030.070.0710.000.002.57
Loop 2671 - pairlist.cpp:2966-3474 - libgromacs_mpi.so.7.0.0 [...]+0.391.061.0610.000.000.85
Loop 2672 - pairlist.cpp:3407-3411 - libgromacs_mpi.so.7.0.0 [...]0.371.011.0110.000.000.16
Loop 2673 - pairlist.cpp:3392-3396 - libgromacs_mpi.so.7.0.0 [...]0.050.140.1410.000.000.64
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
mkl_dft_avx512_mg_rowbatch_plain_fwd_096_slibmkl_avx512.so.20.822.252.2510.000.00Math (%): 100.0023.18
mkl_dft_avx512_mg_rowbatch_plain_bwd_096_slibmkl_avx512.so.20.822.242.2410.000.00Math (%): 100.0022.93
_INTERNAL1bba7552::gmx::lincs_update_atoms_noind(int, _INTERNAL1bba7552::gmx::ArrayRef<_INTERNAL1bba7552::gmx::AtomPair const>, float, _INTERNAL1bba7552::gmx::ArrayRef<float const>, _INTERNAL1bba7552::gmx::ArrayRef<_INTERNAL1bba7552::gmx::Ba...+libgromacs_mpi.so.7.0.00.762.072.0710.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.002.00Intel(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 18659 - lincs.cpp:368-383 - libgromacs_mpi.so.7.0.00.762.072.0710.000.002.00
Loop 18658 - lincs.cpp:388-401 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)+libgromacs_mpi.so.7.0.00.621.691.6910.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0018.45Intel(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 [...]+0.190.520.5210.000.0020.15
Loop 21643 - pme_solve.cpp:234-238 - libgromacs_mpi.so.7.0.0 [...]0.090.240.2410.000.0034.00
Loop 21660 - pme_solve.cpp:441-454 - libgromacs_mpi.so.7.0.00.080.220.2310.000.003.96
Loop 21659 - pme_solve.cpp:457-470 - libgromacs_mpi.so.7.0.00.070.190.1910.000.003.26
Loop 21639 - pme_solve.cpp:555-561 - libgromacs_mpi.so.7.0.00.050.140.1410.000.0019.43
Loop 21647 - pme_solve.cpp:522-531 - libgromacs_mpi.so.7.0.00.040.110.1110.000.001.73
Loop 21644 - pme_solve.cpp:534-543 - libgromacs_mpi.so.7.0.00.040.110.1110.000.0033.45
Loop 21650 - pme_solve.cpp:499-511 - libgromacs_mpi.so.7.0.00.030.080.0810.000.0037.00
Loop 21655 - pme_solve.cpp:234-238 - libgromacs_mpi.so.7.0.0 [...]0.010.010.0110.000.0096.00
Loop 21652 - pme_solve.cpp:486-496 - libgromacs_mpi.so.7.0.00.010.030.0310.000.0016.00
Loop 21657 - pme_solve.cpp:473-475 - libgromacs_mpi.so.7.0.00.010.010.0110.000.002.00
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 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 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 21656 - pme_solve.cpp:473-475 - libgromacs_mpi.so.7.0.000000.000.000.00
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 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 21641 - 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::do_lincs(_INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector<float> const>, _INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector<float> >, float const (*...+libgromacs_mpi.so.7.0.00.61.651.6510.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.001.49Intel(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 [...]+0.030.080.0810.000.001.38
Loop 18646 - lincs.cpp:1087-1089 - libgromacs_mpi.so.7.0.0 [...]0.461.271.2710.000.001.39
Loop 18637 - lincs.cpp:1215-1223 - libgromacs_mpi.so.7.0.0 [...]0.020.060.0610.000.004.17
Loop 18644 - lincs.cpp:1098-1098 - libgromacs_mpi.so.7.0.0 [...]0.020.050.0510.000.003.20
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 [...]+00000.000.000.00
Loop 18643 - lincs.cpp:1155-1155 - libgromacs_mpi.so.7.0.0 [...]0.070.180.1810.000.000.89
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 [...]00010.000.000.00
Loop 18640 - lincs.cpp:1202-1207 - libgromacs_mpi.so.7.0.000000.000.000.00
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.7.0.00.561.541.5410.000.00/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...
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.7.0.00.531.461.4610.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.004.13Intel(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 [...]0.531.461.4610.000.004.13
_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.7.0.00.51.361.3610.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.003.06Intel(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 [...]0.51.361.3610.000.003.06
_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.7.0.00.481.311.3110.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.009.40Intel(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...
__intel_skx_avx512_memset+gmx_mpi0.441.221.2210.000.00Memory (%): 100.000.00
Loop 128 - - gmx_mpi0.010.020.0210.000.000.00
_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.7.0.00.441.191.1910.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.002.49Intel(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_dft_avx512_ipps_cFFTinv_64_32fclibmkl_avx512.so.20.421.161.1610.000.00Math (%): 100.0020.00
mkl_dft_avx512_ipps_cFFTfwd_64_32fclibmkl_avx512.so.20.411.131.1310.000.00Math (%): 100.0017.84
void _INTERNALc075c6e4::gmx::__regcall3__gatherLoadBySimdIntTranspose<3, _INTERNALc075c6e4::gmx::SimdFloat*, _INTERNALc075c6e4::gmx::SimdFloat*>(float const*, _INTERNALc075c6e4::gmx::SimdFInt32, _INTERNALc075c6e4::gmx::SimdFloat*, _INTERNALc075c6e4::...libgromacs_mpi.so.7.0.00.411.131.1310.000.00/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...
pbc_dx_aiuc(t_pbc const*, float const*, float const*, float*)+libgromacs_mpi.so.7.0.00.411.131.1310.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.94Intel(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 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
void _INTERNALc075c6e4::gmx::__regcall3__transposeScatterIncrU<4>(float*, int const*, _INTERNALc075c6e4::gmx::SimdFloat, _INTERNALc075c6e4::gmx::SimdFloat, _INTERNALc075c6e4::gmx::SimdFloat)libgromacs_mpi.so.7.0.00.391.061.0610.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.007.36Intel(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)::angles<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc co...+libgromacs_mpi.so.7.0.00.381.061.0510.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0012.19Intel(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 [...]0.381.061.0510.000.0012.19
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.7.0.00.360.980.9710.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.004.45Intel(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 [...]0.360.980.9710.000.004.45
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.7.0.00.330.910.9110.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.001.22Intel(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 21179 - pairs.cpp:125-824 - libgromacs_mpi.so.7.0.0 [...]0.330.910.9110.000.001.22
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.7.0.00.310.860.8610.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.001.78Intel(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 [...]+0.280.780.7810.000.001.87
Loop 20946 - bonded.cpp:1914-2008 - libgromacs_mpi.so.7.0.0 [...]0.030.080.0810.000.000.88
_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.7.0.00.310.860.8610.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.001.72Intel(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 [...]0.310.860.8610.000.001.72
mkl_dft_avx512_owns_cRealRecombine_32flibmkl_avx512.so.20.30.840.8410.000.00Math (%): 100.0013.94
_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.7.0.00.30.810.8110.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.001.05Intel(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 [...]0.30.810.8110.000.001.05
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
copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)+libgromacs_mpi.so.7.0.00.290.810.8110.000.00/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 1580 - atomdata.cpp:226-236 - libgromacs_mpi.so.7.0.00.270.750.7510.000.000.00
Loop 1579 - atomdata.cpp:226-236 - libgromacs_mpi.so.7.0.00.020.050.0510.000.000.00
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
_INTERNALf8156861::gmx::SimdFloat _INTERNALf8156861::gmx::__regcall3__exp<(MathOptimization)0>(_INTERNALf8156861::gmx::SimdFloat)libgromacs_mpi.so.7.0.00.280.760.7610.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0039.16Intel(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.7.0.00.250.70.710.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.003.20Intel(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 [...]0.250.70.710.000.003.20
void _INTERNAL4f3e572d::gmx::__regcall3__transposeScatterStoreU<3>(float*, int const*, _INTERNAL4f3e572d::gmx::SimdFloat, _INTERNAL4f3e572d::gmx::SimdFloat, _INTERNAL4f3e572d::gmx::SimdFloat)libgromacs_mpi.so.7.0.00.250.680.6810.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.007.29Intel(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...
_INTERNALc6865387::setupForceOutputs(ForceHelperBuffers*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::DomainLifetimeWorkload const&, gmx::StepWorkload const&, bool, gmx_wallcycle*)+libgromacs_mpi.so.7.0.00.20.550.5510.000.00/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 19162 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7.0.0 [...]0.180.490.4910.000.000.00
Loop 19160 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7.0.0 [...]0.020.060.0610.000.000.00
Loop 19161 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
L__ZN3gmx6Update4Impl13finish_updateERK10t_inputrecbiNS_8ArrayRefIKtEEP7t_stateP13gmx_wallcycleb_1637__par_region0_2_148+libgromacs_mpi.so.7.0.00.20.550.5510.000.00/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 19339 - update.cpp:1638-1641 - libgromacs_mpi.so.7.0.00.20.550.5510.000.000.00
clearForceBuffer(nbnxn_atomdata_t*, int)+libgromacs_mpi.so.7.0.00.190.530.5310.000.00/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 2123 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7.0.0 [...]0.190.530.5310.000.000.00
mkl_dft_avx512_owns_cCcsRecombine_32flibmkl_avx512.so.20.190.510.5110.000.00Math (%): 100.0017.35
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.7.0.00.190.520.5210.000.00/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...
Loop 5126 - threaded_force_buffer.cpp:171-211 - libgromacs_mpi.so.7.0.0 [...]+0.010.030.0310.000.001.33
Loop 5128 - threaded_force_buffer.cpp:200-200 - libgromacs_mpi.so.7.0.0 [...]0.180.490.4910.000.000.94
Loop 5127 - threaded_force_buffer.cpp:182-187 - libgromacs_mpi.so.7.0.0 [...]00010.000.000.00
Loop 5129 - threaded_force_buffer.cpp:207-211 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
Loop 5130 - threaded_force_buffer.cpp:209-211 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
__libm_atan2f_l9libgromacs_mpi.so.7.0.00.180.480.4810.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.001.27
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.7.0.00.180.480.4810.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0036.00Intel(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 19100 - settle.cpp:423-649 - libgromacs_mpi.so.7.0.0 [...]0.180.480.4810.000.0036.00
_INTERNALb293ce76::setExclusionsForIEntry(Nbnxm::GridSet const&, NbnxnPairlistCpu*, bool, int, nbnxn_ci_t const&, gmx::ListOfLists<int> const&)+libgromacs_mpi.so.7.0.00.170.450.4510.000.00/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 2702 - pairlist.cpp:607-1420 - libgromacs_mpi.so.7.0.0 [...]+0.030.10.110.000.000.00
Loop 2703 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7.0.0 [...]+0.070.20.210.000.000.00
Loop 2704 - pairlist.cpp:607-1332 - libgromacs_mpi.so.7.0.0 [...]0.030.090.0910.000.000.00
Loop 2705 - pairlist.cpp:1252-1255 - libgromacs_mpi.so.7.0.0 [...]00.010.0110.000.000.00
DftiComputeForwardlibmkl_intel_lp64.so.20.170.470.4710.000.00Math (%): 100.0012.94
__libm_sse2_sincosflibgromacs_mpi.so.7.0.00.170.470.4710.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.001.30
L__ZN17_INTERNAL727fa8dd19calc_ke_part_normalEN3gmx8ArrayRefIKNS0_11BasicVectorIfEEEEPK9t_grpoptsPK9t_mdatomsP14gmx_ekindata_tP6t_nrnbb_113__par_region0_2_11+libgromacs_mpi.so.7.0.00.170.450.4510.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.003.44Intel(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 18773 - md_support.cpp:114-157 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
Loop 18774 - md_support.cpp:139-157 - libgromacs_mpi.so.7.0.0 [...]0.170.450.4510.000.003.44
Loop 18775 - md_support.cpp:132-132 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
_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.7.0.00.150.420.4210.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.007.62Intel(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 [...]0.150.420.4210.000.007.62
dih_angle(float const*, float const*, float const*, float const*, t_pbc const*, float*, float*, float*, float*, float*, int*, int*, int*)libgromacs_mpi.so.7.0.00.150.40.410.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.001.45Intel(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)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.7.0.00.150.420.4210.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.003.17Intel(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 [...]0.150.420.4210.000.003.17
void _INTERNAL5738f0d5::gmx::__regcall3__transposeScatterIncrU<4>(float*, int const*, _INTERNAL5738f0d5::gmx::SimdFloat, _INTERNAL5738f0d5::gmx::SimdFloat, _INTERNAL5738f0d5::gmx::SimdFloat)libgromacs_mpi.so.7.0.00.140.380.3810.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.004.21Intel(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.7.0.00.120.320.3210.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0040.00Intel(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.7.0.00.120.340.3410.000.00/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 2680 - pairlist.cpp:1981-1985 - libgromacs_mpi.so.7.0.0 [...]0.040.110.1110.000.000.00
Loop 2681 - pairlist.cpp:1991-1995 - libgromacs_mpi.so.7.0.0 [...]0.030.090.0910.000.000.00
Loop 2682 - pairlist.cpp:1998-2000 - libgromacs_mpi.so.7.0.00.020.050.0510.000.000.00
Loop 2685 - stl_algobase.h:909-910 - libgromacs_mpi.so.7.0.000000.000.000.00
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.7.0.00.120.330.3310.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0016.97Intel(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...
DftiComputeBackwardlibmkl_intel_lp64.so.20.120.320.3210.000.00Math (%): 100.0020.00
bond_angle(float const*, float const*, float const*, t_pbc const*, float*, float*, float*, int*, int*)libgromacs_mpi.so.7.0.00.120.320.3210.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.001.31Intel(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 _INTERNALc075c6e4::gmx::__regcall3__transposeScatterDecrU<4>(float*, int const*, _INTERNALc075c6e4::gmx::SimdFloat, _INTERNALc075c6e4::gmx::SimdFloat, _INTERNALc075c6e4::gmx::SimdFloat)libgromacs_mpi.so.7.0.00.120.340.3410.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.003.18Intel(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...
__libm_acosf_l9libgromacs_mpi.so.7.0.00.10.270.2710.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.41
mkl_dft_avx512_ippsFFTInv_CCSToR_32flibmkl_avx512.so.20.090.240.2410.000.00Math (%): 100.0010.00
__libm_erfcf_exlibgromacs_mpi.so.7.0.00.090.240.2410.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.002.04
void _INTERNAL5738f0d5::gmx::__regcall3__transposeScatterDecrU<4>(float*, int const*, _INTERNAL5738f0d5::gmx::SimdFloat, _INTERNAL5738f0d5::gmx::SimdFloat, _INTERNAL5738f0d5::gmx::SimdFloat)libgromacs_mpi.so.7.0.00.090.250.2510.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.001.12Intel(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::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.7.0.00.090.240.2410.000.00/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 3941 - localtopology.cpp:416-576 - libgromacs_mpi.so.7.0.0 [...]+0.040.120.1210.000.000.00
Loop 3950 - localtopology.cpp:505-513 - libgromacs_mpi.so.7.0.0 [...]+0.020.060.0610.000.000.00
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 [...]0.010.010.0110.000.000.00
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 [...]00010.000.000.00
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.7.0.000010.000.000.00
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
__libm_exp_l9libgromacs_mpi.so.7.0.00.080.210.2210.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.73
wrap_periodic_pmegrid(gmx_pme_t const*, float*)+libgromacs_mpi.so.7.0.00.080.210.2110.000.00/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...
Loop 21445 - pme_grid.cpp:433-451 - libgromacs_mpi.so.7.0.0 [...]+0.010.010.0110.000.000.00
Loop 21453 - pme_grid.cpp:433-442 - libgromacs_mpi.so.7.0.0+0.020.040.0410.000.000.25
Loop 21458 - pme_grid.cpp:440-442 - libgromacs_mpi.so.7.0.00.030.090.0910.000.000.44
Loop 21457 - pme_grid.cpp:438-442 - libgromacs_mpi.so.7.0.0+00000.000.000.00
Loop 21456 - pme_grid.cpp:440-442 - libgromacs_mpi.so.7.0.000000.000.000.00
Loop 21454 - pme_grid.cpp:438-451 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
Loop 21455 - pme_grid.cpp:440-442 - libgromacs_mpi.so.7.0.000000.000.000.00
Loop 21446 - pme_grid.cpp:449-461 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
Loop 21447 - pme_grid.cpp:451-455 - libgromacs_mpi.so.7.0.0+00000.000.000.00
Loop 21452 - pme_grid.cpp:453-455 - libgromacs_mpi.so.7.0.000000.000.000.00
Loop 21451 - pme_grid.cpp:451-455 - libgromacs_mpi.so.7.0.0+00.010.0110.000.000.00
Loop 21450 - pme_grid.cpp:453-455 - libgromacs_mpi.so.7.0.000010.000.000.00
Loop 21448 - pme_grid.cpp:451-461 - libgromacs_mpi.so.7.0.0 [...]+00010.000.000.00
Loop 21449 - pme_grid.cpp:453-455 - libgromacs_mpi.so.7.0.00.010.010.0110.000.0016.00
Loop 21438 - pme_grid.cpp:428-471 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
Loop 21439 - pme_grid.cpp:428-471 - libgromacs_mpi.so.7.0.0 [...]+00010.000.000.00
Loop 21444 - pme_grid.cpp:469-471 - libgromacs_mpi.so.7.0.000000.000.000.00
Loop 21443 - pme_grid.cpp:467-471 - libgromacs_mpi.so.7.0.0+00010.000.000.00
Loop 21442 - pme_grid.cpp:469-471 - libgromacs_mpi.so.7.0.000010.000.000.00
Loop 21440 - pme_grid.cpp:465-471 - libgromacs_mpi.so.7.0.0+00000.000.000.00
Loop 21441 - pme_grid.cpp:469-471 - libgromacs_mpi.so.7.0.00.010.010.0110.000.000.00
_INTERNALc075c6e4::gmx::__regcall3__asin(_INTERNALc075c6e4::gmx::SimdFloat)libgromacs_mpi.so.7.0.00.070.180.1810.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0015.11Intel(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.20.070.20.210.000.00Math (%): 100.003.20
compute_1d_small_fwdlibmkl_avx512.so.20.070.180.1810.000.00Math (%): 100.0010.67
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.7.0.00.060.170.1710.000.00/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 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 [...]+0.020.060.0610.000.000.00
Loop 3911 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7.0.0 [...]+0.040.110.1110.000.000.00
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
_INTERNAL4f3e572d::__regcall3__pbc_dx_aiuc(float const*, gmx::SimdFloat const*, gmx::SimdFloat const*, gmx::SimdFloat*)libgromacs_mpi.so.7.0.00.060.160.1610.000.00/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...
unwrap_periodic_pmegrid(gmx_pme_t*, float*)+libgromacs_mpi.so.7.0.00.060.160.1710.000.00/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 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+00000.000.000.00
Loop 21470 - pme_grid.cpp:500-504 - libgromacs_mpi.so.7.0.000000.000.000.00
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 [...]+00000.000.000.00
Loop 21462 - pme_grid.cpp:518-522 - libgromacs_mpi.so.7.0.000000.000.000.00
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 [...]+00000.000.000.00
Loop 21464 - pme_grid.cpp:496-539 - libgromacs_mpi.so.7.0.0 [...]+0.030.090.0910.000.000.00
Loop 21465 - pme_grid.cpp:537-539 - libgromacs_mpi.so.7.0.00.030.070.0710.000.000.00
Loop 21466 - pme_grid.cpp:535-539 - libgromacs_mpi.so.7.0.000000.000.000.00
mkl_dft_avx512_ippsFFTFwd_RToPerm_32flibmkl_avx512.so.20.060.170.1710.000.00Math (%): 100.0010.35
_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.7.0.00.060.170.1710.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.002.82Intel(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 [...]0.060.170.1710.000.002.82
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
__libm_expf_l9libgromacs_mpi.so.7.0.00.050.150.1510.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.67
compute_mg_row_bwdlibmkl_avx512.so.20.050.140.1410.000.00Math (%): 100.004.57
parse_printf_formatlibc.so.60.050.140.1410.000.00IO (%): 100.000.00
_INTERNALc075c6e4::gmx::SimdFloat _INTERNALc075c6e4::gmx::__regcall3__sqrt<(MathOptimization)0>(_INTERNALc075c6e4::gmx::SimdFloat)libgromacs_mpi.so.7.0.00.050.140.1410.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0027.43Intel(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_modelibmkl_core.so.20.050.150.1510.000.00Math (%): 100.000.00
gmx_fft_many_1d(gmx_fft*, gmx_fft_direction, void*, void*)+libgromacs_mpi.so.7.0.00.040.10.110.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0013.60Intel(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...
Loop 21783 - fft.cpp:115-123 - libgromacs_mpi.so.7.0.00.040.10.110.000.0013.60
Unknown functionlibgromacs_mpi.so.7.0.00.040.120.1210.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.007.50
mkl_dft_avx512_ippsDFTInv_CCSToR_32flibmkl_avx512.so.20.040.120.1210.000.00Math (%): 100.000.00
copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)+libgromacs_mpi.so.7.0.00.040.120.1210.000.00/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 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.7.0.00.040.120.1210.000.000.00
Loop 21436 - pme_grid.cpp:402-404 - libgromacs_mpi.so.7.0.000000.000.000.00
_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.7.0.00.040.110.1110.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.18Intel(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 1991 - grid.cpp:329-408 - libgromacs_mpi.so.7.0.0 [...]+0.020.050.0510.000.000.40
Loop 1995 - grid.cpp:385-389 - libgromacs_mpi.so.7.0.0 [...]00010.000.000.00
Loop 1996 - grid.cpp:397-402 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
Loop 1994 - grid.cpp:415-420 - libgromacs_mpi.so.7.0.00.020.050.0510.000.000.00
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
_INTERNALb293ce76::makeClusterListWrapper(NbnxnPairlistCpu*, Nbnxm::Grid const&, int, Nbnxm::Grid const&, int, int, bool, nbnxn_atomdata_t const*, float, float, ClusterDistanceKernelType, int*)libgromacs_mpi.so.7.0.00.040.10.110.000.00/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...
gmx_fft_1d_real(gmx_fft*, gmx_fft_direction, void*, void*)+libgromacs_mpi.so.7.0.00.040.120.1210.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.009.33Intel(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...
Loop 21867 - fft_mkl.cpp:483-506 - libgromacs_mpi.so.7.0.0 [...]0.020.040.0410.000.0016.00
mkl_dft_avx512_ippsDFTFwd_RToCCS_32flibmkl_avx512.so.20.040.120.1210.000.00Math (%): 100.009.33
gmx_fft_1d(gmx_fft*, gmx_fft_direction, void*, void*)libgromacs_mpi.so.7.0.00.040.120.1210.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0072.67Intel(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...
_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.7.0.00.030.10.110.000.00/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 3697 - domdec_constraints.cpp:234-282 - libgromacs_mpi.so.7.0.0 [...]+0.010.030.0310.000.000.00
Loop 3698 - domdec_constraints.cpp:254-264 - libgromacs_mpi.so.7.0.0 [...]+0.020.050.0510.000.000.00
Loop 3709 - 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 3700 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
Loop 3707 - stl_vector.h:378-1919 - libgromacs_mpi.so.7.0.0 [...]+00010.000.000.00
Loop 3708 - hashedmap.h:277-282 - 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 3705 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
Loop 3703 - new_allocator.h:120-126 - libgromacs_mpi.so.7.0.0 [...]+00010.000.000.00
Loop 3699 - vector.tcc:635-636 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
Loop 3710 - mtop_lookup.h:93-106 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
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
void _INTERNALb293ce76::get_cell_range<0>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*)+libgromacs_mpi.so.7.0.00.030.080.0810.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.63Intel(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 2688 - pairlist.cpp:272-276 - libgromacs_mpi.so.7.0.00.010.010.0110.000.000.00
Loop 2687 - pairlist.cpp:281-285 - libgromacs_mpi.so.7.0.00.010.030.0310.000.001.00
copy_pmegrid_to_fftgrid(gmx_pme_t const*, float const*, float*, int)+libgromacs_mpi.so.7.0.00.030.080.0810.000.00/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 21431 - pme_grid.cpp:271-349 - libgromacs_mpi.so.7.0.0 [...]+00010.000.000.00
Loop 21432 - pme_grid.cpp:301-349 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
Loop 21434 - pme_grid.cpp:301-303 - libgromacs_mpi.so.7.0.00.030.080.0810.000.000.00
Loop 21433 - pme_grid.cpp:303-309 - libgromacs_mpi.so.7.0.000000.000.000.00
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.7.0.00.030.080.0810.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.002.00Intel(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 [...]0.030.080.0810.000.002.00
compute_1d_small_bwdlibmkl_avx512.so.20.030.080.0810.000.00Math (%): 100.0020.00
calc_vir(int, float const (*) [3], float const (*) [3], float (*) [3], bool, float const (*) [3])+libgromacs_mpi.so.7.0.00.030.090.0910.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.005.33Intel(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...
Loop 17902 - calcvir.cpp:61-81 - libgromacs_mpi.so.7.0.0 [...]0.030.090.0910.000.005.33
Loop 17901 - calcvir.cpp:123-123 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*)+libgromacs_mpi.so.7.0.00.030.090.0910.000.00/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 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 [...]+0.030.090.0910.000.000.00
Loop 18783 - stl_vector.h:1143-1143 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
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.7.0.00.030.090.0910.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0039.11Intel(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 [...]+0.030.080.0810.000.0040.00
Loop 19098 - settle.cpp:661-673 - libgromacs_mpi.so.7.0.0 [...]0.010.010.0110.000.0032.00
_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.7.0.00.030.070.0710.000.00/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 [...]+0.010.030.0310.000.000.00
Loop 3712 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7.0.0 [...]+0.010.040.0410.000.000.00
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 [...]00000.000.000.00
_INTERNAL80d859f8::atomInMolblockFromGlobalAtomnr(gmx::ArrayRef<MolblockIndices const>, int)+libgromacs_mpi.so.7.0.00.030.090.0910.000.00/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 [...]0.010.020.0210.000.000.00
void _INTERNALb293ce76::get_cell_range<1>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*)+libgromacs_mpi.so.7.0.00.030.090.0910.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.44Intel(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 2679 - pairlist.cpp:272-276 - libgromacs_mpi.so.7.0.00.010.020.0210.000.001.50
Loop 2678 - pairlist.cpp:281-285 - libgromacs_mpi.so.7.0.00.010.030.0310.000.000.33
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.7.0.00.030.090.0910.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.002.67Intel(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 20947 - bonded.cpp:129-3032 - libgromacs_mpi.so.7.0.0 [...]0.030.090.0910.000.002.67
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.7.0.00.030.070.0710.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.002.29Intel(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 20857 - bonded.cpp:2179-2256 - libgromacs_mpi.so.7.0.0 [...]0.030.070.0710.000.002.29
_INTERNAL5ce61142::Nbnxm::sort_cluster_on_flag(int, int, int, gmx::ArrayRef<long const>, gmx::ArrayRef<int>, int*)+libgromacs_mpi.so.7.0.00.020.040.0410.000.00/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 1980 - grid.cpp:816-868 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
Loop 1983 - grid.cpp:823-834 - libgromacs_mpi.so.7.0.00.010.030.0310.000.000.00
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.7.0.000.010.0110.000.000.00
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.7.0.00.020.060.0610.000.00/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 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.7.0.000.010.0110.000.000.00
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
_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.7.0.00.020.040.0410.000.00/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 4287 - redistribute.cpp:74-428 - libgromacs_mpi.so.7.0.0 [...]+00010.000.000.00
Loop 4286 - redistribute.cpp:349-421 - libgromacs_mpi.so.7.0.0 [...]+0.010.030.0310.000.000.00
Loop 4290 - redistribute.cpp:414-416 - libgromacs_mpi.so.7.0.0 [...]00010.000.000.00
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
_IO_vfprintflibc.so.60.020.050.0510.000.00IO (%): 100.000.00
_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.7.0.00.020.050.0510.000.00/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...
Loop 19168 - sim_util.cpp:150-150 - libgromacs_mpi.so.7.0.0 [...]0.020.050.0510.000.003.00
Loop 19169 - sim_util.cpp:270-287 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&)+libgromacs_mpi.so.7.0.00.020.060.0610.000.00/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 21119 - manage_threading.cpp:336-397 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
Loop 21118 - manage_threading.cpp:351-367 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
Loop 21120 - manage_threading.cpp:363-367 - libgromacs_mpi.so.7.0.0 [...]+0.010.030.0310.000.000.00
Loop 21121 - manage_threading.cpp:365-367 - libgromacs_mpi.so.7.0.0 [...]0.010.030.0310.000.000.00
void _INTERNAL83cfe191::orderVector<gmx::BasicVector<float> >(gmx::ArrayRef<gmx_cgsort const>, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >)+libgromacs_mpi.so.7.0.00.020.050.0510.000.00/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 [...]0.010.020.0210.000.000.00
Loop 4133 - stl_algobase.h:383-385 - libgromacs_mpi.so.7.0.0 [...]0.010.020.0210.000.000.00
__xpg_basenamelibc.so.60.020.050.0510.000.00System (%): 100.000.00
globalAtomIndexToMoltypeIndices(gmx::ArrayRef<MolblockIndices const>, int)+libgromacs_mpi.so.7.0.00.020.050.0510.000.00/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 4308 - reversetopology.cpp:140-147 - libgromacs_mpi.so.7.0.0 [...]00010.000.000.00
mkl_dft_avx512_transfer_ipp_mkl_errorlibmkl_avx512.so.20.020.040.0410.000.00Math (%): 100.0048.00
_INTERNAL1bba7552::gmx::set_lincs_matrix_task(_INTERNAL1bba7552::gmx::Lincs*, _INTERNAL1bba7552::gmx::Task*, _INTERNAL1bba7552::gmx::ArrayRef<float const>, int*, int*)+libgromacs_mpi.so.7.0.00.020.050.0510.000.00/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 18665 - lincs.cpp:1251-1324 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
Loop 18666 - lincs.cpp:1255-1324 - libgromacs_mpi.so.7.0.0 [...]+0.020.050.0510.000.000.40
Loop 18667 - stl_vector.h:1124-1124 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
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.7.0.00.020.040.0410.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0012.00Intel(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 [...]00010.000.000.00
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
gmx_fft_many_1d_real(gmx_fft*, gmx_fft_direction, void*, void*)+libgromacs_mpi.so.7.0.00.020.060.0610.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.0026.67Intel(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 21784 - fft.cpp:132-140 - libgromacs_mpi.so.7.0.00.020.060.0610.000.0026.67
calc_vcm_grp(t_mdatoms const&, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> const>, t_vcm*)+libgromacs_mpi.so.7.0.00.010.020.0210.000.00/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 19493 - vcm.cpp:189-203 - libgromacs_mpi.so.7.0.0 [...]0.010.020.0210.000.000.00
Loop 19498 - vcm.cpp:222-245 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
Loop 19499 - vcm.cpp:236-245 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
Loop 19492 - vcm.cpp:143-215 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
Loop 19494 - vcm.cpp:143-215 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
Loop 19495 - vcm.cpp:189-203 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
Loop 19497 - vcm.cpp:173-177 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
Loop 19496 - vcm.cpp:173-177 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
_INTERNALd0075a52::mk_grey(gmx::ArrayRef<egCol>, t_graph*, int*, int, float const (*) [3], float const (*) [3], int*)+libgromacs_mpi.so.7.0.00.010.030.0310.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.33Intel(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...
Loop 5502 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7.0.0 [...]+0.010.010.0110.000.001.00
Loop 5503 - mshift.cpp:492-605 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
Loop 5504 - mshift.cpp:449-601 - libgromacs_mpi.so.7.0.0 [...]+00.010.0110.000.000.00
Loop 5505 - mshift.cpp:471-473 - libgromacs_mpi.so.7.0.000000.000.000.00
Loop 5506 - mshift.cpp:463-465 - libgromacs_mpi.so.7.0.000000.000.000.00
Nbnxm::Grid::setCellIndices(int, int, Nbnxm::GridSetData*, gmx::ArrayRef<Nbnxm::GridWork>, gmx::Range<int>, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, int, nbnxn_atomdata_t*)+libgromacs_mpi.so.7.0.00.010.010.0110.000.00/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 1951 - range.h:84-88 - libgromacs_mpi.so.7.0.0 [...]0.010.010.0110.000.000.00
Loop 1953 - grid.cpp:1434-1441 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
Loop 1954 - grid.cpp:1436-1439 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
Loop 1949 - grid.cpp:707-712 - libgromacs_mpi.so.7.0.000000.000.000.00
Loop 1955 - grid.cpp:1381-1412 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
Loop 1956 - grid.cpp:1400-1402 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
Loop 1952 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
Loop 1950 - grid.cpp:1510-1512 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
L__Z31nbnxn_atomdata_copy_x_to_nbat_xRKN5Nbnxm7GridSetEN3gmx12AtomLocalityEPA3_KfP16nbnxn_atomdata_t_993__par_region0_2_45+libgromacs_mpi.so.7.0.00.010.030.0310.000.00/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 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 [...]+00010.000.000.00
Loop 1569 - atomdata.cpp:1006-1011 - libgromacs_mpi.so.7.0.0 [...]0.010.020.0210.000.000.00
_INTERNAL1bba7552::gmx::set_matrix_indices(_INTERNAL1bba7552::gmx::Lincs*, _INTERNAL1bba7552::gmx::Task const&, _INTERNAL1bba7552::gmx::ListOfLists<int> const&, bool)+libgromacs_mpi.so.7.0.00.010.040.0410.000.00/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 18685 - lincs.cpp:1936-1962 - libgromacs_mpi.so.7.0.0 [...]+00.010.0110.000.000.00
Loop 18696 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7.0.0 [...]0.010.010.0110.000.000.00
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 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 [...]00.010.0110.000.000.00
Loop 18691 - stl_heap.h:356-360 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
__nss_database_lookuplibc.so.60.010.020.0210.000.00Others (%): 100.000.00
erfcflibgromacs_mpi.so.7.0.00.010.020.0210.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.000.50
gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()+libgromacs_mpi.so.7.0.00.010.040.0410.000.00/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 5253 - threaded_force_buffer.cpp:78-80 - libgromacs_mpi.so.7.0.0 [...]+0.010.040.0410.000.000.00
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 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
Loop 5246 - threaded_force_buffer.cpp:90-94 - libgromacs_mpi.so.7.0.0 [...]+00000.000.000.00
Loop 5249 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.7.0.000000.000.000.00
Loop 5250 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
Loop 5252 - stl_algobase.h:909-910 - libgromacs_mpi.so.7.0.000000.000.000.00
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.7.0.00.010.020.0210.000.00/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...
float _INTERNALc075c6e4::(anonymous namespace)::idihs<(BondedKernelFlavor)2>(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.7.0.00.010.020.0210.000.00/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 20950 - bonded.cpp:129-2327 - libgromacs_mpi.so.7.0.0 [...]0.010.020.0210.000.000.50
dd_check_ftype(int, ReverseTopOptions const&)libgromacs_mpi.so.7.0.00.010.010.0110.000.00/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...
__intel_avx_memmove+gmx_mpi0.010.010.0110.000.00Memory (%): 100.000.00
Loop 67 - - gmx_mpi00000.000.000.00
Loop 115 - - gmx_mpi00000.000.000.00
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_mpi00010.000.000.00
Loop 60 - - gmx_mpi00000.000.000.00
Loop 107 - - gmx_mpi00000.000.000.00
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_mpi00000.000.000.00
Loop 99 - - gmx_mpi00000.000.000.00
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_mpi00000.000.000.00
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_mpi00000.000.000.00
Loop 78 - - gmx_mpi00000.000.000.00
Loop 70 - - gmx_mpi00000.000.000.00
Loop 111 - - gmx_mpi00000.000.000.00
Loop 88 - - gmx_mpi00000.000.000.00
Loop 66 - - gmx_mpi00000.000.000.00
Loop 89 - - gmx_mpi00010.000.000.00
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
std::vector<int, std::allocator<int> >::_M_default_append(unsigned long)+libgromacs_mpi.so.7.0.00.010.010.0110.000.00/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 1897 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
Loop 1898 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
Loop 1896 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
Loop 1899 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
Loop 1894 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
Loop 1895 - stl_algobase.h:921-922 - libgromacs_mpi.so.7.0.000000.000.000.00
Loop 1893 - vector.tcc:635-635 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
atan2flibgromacs_mpi.so.7.0.00.010.010.0110.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.008.00
dd_make_local_constraints(gmx_domdec_t*, int, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::Constraints*, int, gmx::ArrayRef<InteractionList>)+libgromacs_mpi.so.7.0.00.010.010.0110.000.00/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 3689 - domdec_constraints.cpp:540-545 - libgromacs_mpi.so.7.0.0+00000.000.000.00
Loop 3690 - domdec_constraints.cpp:543-545 - libgromacs_mpi.so.7.0.000010.000.000.00
Loop 3691 - domdec_constraints.cpp:525-530 - libgromacs_mpi.so.7.0.0+00.010.0110.000.000.00
Loop 3692 - domdec_constraints.cpp:528-530 - libgromacs_mpi.so.7.0.000000.000.000.00
Loop 3693 - domdec_constraints.cpp:492-500 - libgromacs_mpi.so.7.0.0 [...]00000.000.000.00
unknown_kernel_regionkernel0.010.040.0410.000.00System (%): 87.50
Math (%): 12.50
0.00
mkl_serv_verbose_mode@pltlibmkl_intel_lp64.so.20.010.040.0410.000.00Math (%): 100.000.00
__libm_exp_k32libgromacs_mpi.so.7.0.00.010.020.0210.000.00/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 (%): 100.001.50
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.7.0.00.010.020.0210.000.00/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 2005 - grid.cpp:1241-1311 - libgromacs_mpi.so.7.0.0 [...]0.010.020.0210.000.000.50
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
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.7.0.00.010.020.0210.000.00/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 3962 - range.h:84-88 - libgromacs_mpi.so.7.0.0 [...]+0.010.020.0210.000.000.00
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
_INTERNAL83cfe191::make_dd_indices(gmx_domdec_t*, int)+libgromacs_mpi.so.7.0.00.010.010.0110.000.00/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 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 [...]+0.010.010.0110.000.000.00
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
constrained_atom_sigma2(float, atom_nonbonded_kinetic_prop_t const*, float*, float*)libgromacs_mpi.so.7.0.00.010.020.0210.000.00/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...
mkl_dft_avx512_transfer_ipp_mkl_error@pltlibmkl_avx512.so.20.010.010.0110.000.00Math (%): 100.0032.00
gmx::InMemoryDeserializer::doRvec(float (*) [3])+libgromacs_mpi.so.7.0.00.010.010.0110.000.00/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 262 - inmemoryserializer.cpp:374-376 - libgromacs_mpi.so.7.0.000010.000.000.00
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