Name | Module | Coverage (%) | min (Coverage) (%) | avg (Coverage) (%) | med (Coverage) (%) | max (Coverage) (%) | Max Time Over Threads (s) | min (Max Time Over Threads) (s) | avg (Max Time Over Threads) (s) | med (Max Time Over Threads) (s) | max (Max Time Over Threads) (s) | Time w.r.t. Wall Time (s) | min (Time w.r.t. Wall Time) (s) | avg (Time w.r.t. Wall Time) (s) | med (Time w.r.t. Wall Time) (s) | max (Time w.r.t. Wall Time) (s) | Run Count | Categories |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
►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 | 29.02 | 27.59 | 28.99 | 29.03 | 29.25 | 15.79 | 15.39 | 15.74 | 15.6 | 18.58 | 15.56 | 15.47 | 15.57 | 15.58 | 15.65 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 982 | libgromacs_mpi.so.7 | 0.67 | 0.63 | 0.36 | ||||||||||||||
○loop 987 | libgromacs_mpi.so.7 | 19.06 | 12.78 | 10.22 | ||||||||||||||
○loop 985 | libgromacs_mpi.so.7 | 7.01 | 9.39 | 3.76 | ||||||||||||||
○loop 988 | libgromacs_mpi.so.7 | 0.92 | 0.67 | 0.49 | ||||||||||||||
○loop 986 | libgromacs_mpi.so.7 | 0.7 | 0.88 | 0.37 | ||||||||||||||
○loop 983 | libgromacs_mpi.so.7 | 0.57 | 0.51 | 0.31 | ||||||||||||||
○loop 984 | libgromacs_mpi.so.7 | 0.08 | 0.11 | 0.04 | ||||||||||||||
○bool _INTERNAL8eaaea23::__kmp_wait_template | libiomp5.so | 24.18 | 23.78 | 24.23 | 24.11 | 27.56 | 16.72 | 16.38 | 16.97 | 16.87 | 19.9 | 12.96 | 12.67 | 13.02 | 12.94 | 15.52 | 31 | OMP (%): 100.00 |
►fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*) | libgromacs_mpi.so.7 | 5.02 | 4.68 | 4.92 | 4.93 | 5.08 | 3.07 | 2.83 | 2.98 | 2.98 | 3.13 | 2.69 | 2.56 | 2.64 | 2.64 | 2.74 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 21794 | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0.01 | ||||||||||||||
►loop 21799 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21800 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21802 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21801 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21818 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21803 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21819 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21820 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21821 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21822 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21823 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21804 | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | ||||||||||||||
►loop 21805 | libgromacs_mpi.so.7 | 0.01 | 0.04 | 0.01 | ||||||||||||||
►loop 21806 | libgromacs_mpi.so.7 | 0.13 | 0.14 | 0.07 | ||||||||||||||
○loop 21809 | libgromacs_mpi.so.7 | 4.16 | 2.53 | 2.23 | ||||||||||||||
○loop 21808 | libgromacs_mpi.so.7 | 0.04 | 0.09 | 0.02 | ||||||||||||||
○loop 21807 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21824 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21825 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21827 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21826 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21810 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21811 | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | ||||||||||||||
►loop 21812 | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | ||||||||||||||
►loop 21813 | libgromacs_mpi.so.7 | 0.07 | 0.08 | 0.04 | ||||||||||||||
○loop 21816 | libgromacs_mpi.so.7 | 0.57 | 0.39 | 0.31 | ||||||||||||||
○loop 21815 | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | ||||||||||||||
○loop 21817 | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | ||||||||||||||
○loop 21814 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21828 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21829 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21831 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21830 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21795 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21796 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21798 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21797 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►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 | 4.33 | 4.13 | 4.35 | 4.36 | 4.43 | 2.53 | 2.38 | 2.50 | 2.5 | 2.85 | 2.32 | 2.3 | 2.34 | 2.34 | 2.37 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 989 | libgromacs_mpi.so.7 | 0.1 | 0.13 | 0.05 | ||||||||||||||
○loop 994 | libgromacs_mpi.so.7 | 2.82 | 2.06 | 1.51 | ||||||||||||||
○loop 992 | libgromacs_mpi.so.7 | 1.09 | 1.48 | 0.59 | ||||||||||||||
○loop 995 | libgromacs_mpi.so.7 | 0.12 | 0.11 | 0.07 | ||||||||||||||
○loop 993 | libgromacs_mpi.so.7 | 0.11 | 0.17 | 0.06 | ||||||||||||||
○loop 990 | libgromacs_mpi.so.7 | 0.08 | 0.09 | 0.04 | ||||||||||||||
○loop 991 | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0.01 | ||||||||||||||
►gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float) | libgromacs_mpi.so.7 | 3.86 | 3.7 | 3.86 | 3.85 | 3.94 | 2.62 | 2.51 | 2.61 | 2.61 | 2.81 | 2.07 | 2.05 | 2.07 | 2.07 | 2.11 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 21402 | libgromacs_mpi.so.7 | 1.96 | 1.41 | 1.05 | ||||||||||||||
○loop 21401 | libgromacs_mpi.so.7 | 1.9 | 1.29 | 1.02 | ||||||||||||||
►loop 21405 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21403 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21404 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21406 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21410 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21412 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21411 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21409 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21408 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21407 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►_INTERNALae0e43be::reduce_threadgrid_overlap(gmx_pme_t const*, pmegrids_t const*, int, float*, float*, float*, int) | libgromacs_mpi.so.7 | 2.89 | 2.63 | 2.84 | 2.85 | 2.91 | 1.72 | 1.64 | 1.71 | 1.69 | 1.9 | 1.55 | 1.48 | 1.53 | 1.53 | 1.56 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 21731 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21732 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21733 | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0 | ||||||||||||||
►loop 21740 | libgromacs_mpi.so.7 | 0.1 | 0.09 | 0.05 | ||||||||||||||
►loop 21741 | libgromacs_mpi.so.7 | 1.05 | 0.69 | 0.57 | ||||||||||||||
○loop 21742 | libgromacs_mpi.so.7 | 1.73 | 1.11 | 0.93 | ||||||||||||||
○loop 21744 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21743 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21734 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21735 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21738 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21736 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21739 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21737 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►_INTERNAL1bba7552::gmx::lincs_matrix_expand(_INTERNAL1bba7552::gmx::Lincs const&, _INTERNAL1bba7552::gmx::Task const&, _INTERNAL1bba7552::gmx::ArrayRef | libgromacs_mpi.so.7 | 2.36 | 2.26 | 2.36 | 2.37 | 2.39 | 1.66 | 1.54 | 1.65 | 1.65 | 1.78 | 1.27 | 1.25 | 1.27 | 1.27 | 1.29 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 18652 | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | ||||||||||||||
►loop 18653 | libgromacs_mpi.so.7 | 1.45 | 0.95 | 0.78 | ||||||||||||||
○loop 18654 | libgromacs_mpi.so.7 | 0.9 | 0.83 | 0.48 | ||||||||||||||
○loop 18656 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 18655 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 18647 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 18648 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 18650 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 18649 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 18651 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►void _INTERNALecfc3c36::clearBufferFlagged<3>(nbnxn_atomdata_t const&, int, gmx::ArrayRef | libgromacs_mpi.so.7 | 1.76 | 1.69 | 1.77 | 1.77 | 1.86 | 1.26 | 1.19 | 1.26 | 1.26 | 1.35 | 0.95 | 0.91 | 0.95 | 0.95 | 1 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 2125 | libgromacs_mpi.so.7 | 0.35 | 0.25 | 0.19 | ||||||||||||||
○loop 2124 | libgromacs_mpi.so.7 | 1.42 | 1.07 | 0.76 | ||||||||||||||
►_INTERNALae0e43be::make_bsplines(float**, float**, int, float (*) [3], int, int const*, float const*, bool) | libgromacs_mpi.so.7 | 1.66 | 1.58 | 1.64 | 1.65 | 1.68 | 1.16 | 1.08 | 1.16 | 1.16 | 1.25 | 0.89 | 0.86 | 0.88 | 0.89 | 0.9 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 21746 | libgromacs_mpi.so.7 | 1.65 | 1.16 | 0.89 | ||||||||||||||
►loop 21745 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21749 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21748 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21747 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21750 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21751 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►_INTERNALae0e43be::spread_coefficients_bsplines_thread(pmegrid_t const*, PmeAtomComm const*, splinedata_t*, pme_spline_work*) | libgromacs_mpi.so.7 | 1.63 | 1.57 | 1.63 | 1.64 | 1.67 | 1.13 | 1.08 | 1.14 | 1.13 | 1.22 | 0.87 | 0.86 | 0.88 | 0.88 | 0.9 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 21753 | libgromacs_mpi.so.7 | 1.62 | 1.12 | 0.87 | ||||||||||||||
►loop 21755 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21754 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21757 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21758 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21756 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21752 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21759 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►L__ZN17_INTERNALa817b2b737nbnxn_atomdata_add_nbat_f_to_f_reduceEP16nbnxn_atomdata_ti_1188__par_region0_2_51 | libgromacs_mpi.so.7 | 1.32 | 1.27 | 1.39 | 1.38 | 1.53 | 0.92 | 0.89 | 0.98 | 0.97 | 1.12 | 0.71 | 0.69 | 0.75 | 0.74 | 0.83 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 1590 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 1591 | libgromacs_mpi.so.7 | 0.04 | 0.05 | 0.02 | ||||||||||||||
○loop 1597 | libgromacs_mpi.so.7 | 0.5 | 0.38 | 0.27 | ||||||||||||||
►loop 1593 | libgromacs_mpi.so.7 | 0.08 | 0.12 | 0.04 | ||||||||||||||
○loop 1594 | libgromacs_mpi.so.7 | 0.58 | 0.54 | 0.31 | ||||||||||||||
►loop 1595 | libgromacs_mpi.so.7 | 0.01 | 0.04 | 0 | ||||||||||||||
○loop 1596 | libgromacs_mpi.so.7 | 0.11 | 0.59 | 0.06 | ||||||||||||||
○loop 1592 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○mkl_dft_avx512_owns_cRealRecombine_32f | libmkl_avx512.so.2 | 1.26 | 1.2 | 1.27 | 1.26 | 1.4 | 0.75 | 0.75 | 0.82 | 0.81 | 0.95 | 0.68 | 0.64 | 0.68 | 0.68 | 0.75 | 31 | Math (%): 100.00 |
►L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_910__par_region0_2_2 | libgromacs_mpi.so.7 | 1.1 | 1.02 | 1.08 | 1.09 | 1.12 | 0.71 | 0.64 | 0.72 | 0.71 | 0.84 | 0.59 | 0.56 | 0.58 | 0.58 | 0.6 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 21717 | libgromacs_mpi.so.7 | 0.97 | 0.64 | 0.52 | ||||||||||||||
○loop 21718 | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | ||||||||||||||
○_ZN17_INTERNAL8eaaea2326__kmp_hyper_barrier_gatherE12barrier_typeP8kmp_infoiiPFvPvS3_ES3_..0 | libiomp5.so | 1.04 | 1 | 1.05 | 1.04 | 1.29 | 5.8 | 5.32 | 5.94 | 5.84 | 9.08 | 0.56 | 0.53 | 0.56 | 0.56 | 0.73 | 31 | OMP (%): 100.00 |
►_INTERNALae0e43be::calc_interpolation_idx(gmx_pme_t const*, PmeAtomComm*, int, int, int, int) | libgromacs_mpi.so.7 | 0.96 | 0.87 | 0.93 | 0.93 | 0.96 | 0.62 | 0.58 | 0.65 | 0.63 | 0.77 | 0.51 | 0.48 | 0.50 | 0.5 | 0.51 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 21719 | libgromacs_mpi.so.7 | 0.69 | 0.48 | 0.37 | ||||||||||||||
○loop 21721 | libgromacs_mpi.so.7 | 0.26 | 0.21 | 0.14 | ||||||||||||||
○loop 21729 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21728 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21727 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21722 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21720 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21725 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21730 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21723 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21726 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21724 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►_INTERNAL1bba7552::gmx::lincs_update_atoms_ind(_INTERNAL1bba7552::gmx::ArrayRef | libgromacs_mpi.so.7 | 0.92 | 0.91 | 0.94 | 0.95 | 0.97 | 0.83 | 0.72 | 0.86 | 0.86 | 1.01 | 0.49 | 0.49 | 0.51 | 0.51 | 0.52 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 18661 | libgromacs_mpi.so.7 | 0.92 | 0.83 | 0.49 | ||||||||||||||
○loop 18660 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►__intel_skx_avx512_memset | gmx_mpi | 0.75 | 0.7 | 0.74 | 0.74 | 0.78 | 0.62 | 0.55 | 0.62 | 0.62 | 0.72 | 0.4 | 0.38 | 0.40 | 0.4 | 0.42 | 31 | Memory (%): 100.00 |
○loop 128 | gmx_mpi | 0.06 | 0.13 | 0.03 | ||||||||||||||
►_INTERNALb293ce76::makeClusterListSimd2xnn(Nbnxm::Grid const&, NbnxnPairlistCpu*, int, int, int, bool, float const*, float, float, int*) | libgromacs_mpi.so.7 | 0.63 | 0.58 | 0.63 | 0.63 | 0.65 | 0.39 | 0.38 | 0.40 | 0.4 | 0.46 | 0.34 | 0.32 | 0.34 | 0.34 | 0.35 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 2693 | libgromacs_mpi.so.7 | 0.38 | 0.27 | 0.2 | ||||||||||||||
○loop 2692 | libgromacs_mpi.so.7 | 0.1 | 0.08 | 0.06 | ||||||||||||||
○loop 2691 | libgromacs_mpi.so.7 | 0.05 | 0.05 | 0.03 | ||||||||||||||
○mkl_dft_avx512_mg_rowbatch_plain_bwd_096_s | libmkl_avx512.so.2 | 0.62 | 0.59 | 0.68 | 0.67 | 0.9 | 0.43 | 0.39 | 0.47 | 0.45 | 0.75 | 0.33 | 0.33 | 0.36 | 0.36 | 0.49 | 31 | Math (%): 100.00 |
○mkl_dft_avx512_mg_rowbatch_plain_fwd_096_s | libmkl_avx512.so.2 | 0.58 | 0.52 | 0.62 | 0.59 | 0.84 | 0.44 | 0.34 | 0.45 | 0.44 | 0.63 | 0.31 | 0.28 | 0.33 | 0.31 | 0.45 | 31 | Math (%): 100.00 |
○mkl_dft_avx512_ipps_cFFTfwd_64_32fc | libmkl_avx512.so.2 | 0.57 | 0.53 | 0.57 | 0.57 | 0.6 | 0.39 | 0.35 | 0.40 | 0.39 | 0.47 | 0.31 | 0.28 | 0.30 | 0.3 | 0.32 | 31 | Math (%): 100.00 |
○void _INTERNAL4f3e572d::gmx::__regcall3__gatherLoadUTranspose<3, _INTERNAL4f3e572d::gmx::SimdFloat*, _INTERNAL4f3e572d::gmx::SimdFloat*>(float const*, int const*, _INTERNAL4f3e572d::gmx::SimdFloat*, _INTERNAL4f3e572d::gmx::SimdFloat*, _INTERNAL4f3e572d::gm... | libgromacs_mpi.so.7 | 0.56 | 0.54 | 0.56 | 0.56 | 0.58 | 0.53 | 0.41 | 0.48 | 0.47 | 0.55 | 0.3 | 0.29 | 0.30 | 0.3 | 0.31 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►nbnxn_kernel_prune_2xnn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.54 | 0.51 | 0.54 | 0.54 | 0.56 | 0.36 | 0.33 | 0.37 | 0.37 | 0.44 | 0.29 | 0.28 | 0.29 | 0.29 | 0.3 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 1496 | libgromacs_mpi.so.7 | 0.02 | 0.02 | 0.01 | ||||||||||||||
○loop 1497 | libgromacs_mpi.so.7 | 0.52 | 0.36 | 0.28 | ||||||||||||||
►void _INTERNALb293ce76::nbnxn_make_pairlist_part | libgromacs_mpi.so.7 | 0.52 | 0.49 | 0.52 | 0.52 | 0.54 | 0.34 | 0.32 | 0.35 | 0.34 | 0.38 | 0.28 | 0.27 | 0.28 | 0.28 | 0.29 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 2674 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 2666 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 2665 | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | ||||||||||||||
►loop 2667 | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0 | ||||||||||||||
►loop 2668 | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0 | ||||||||||||||
►loop 2669 | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0.01 | ||||||||||||||
►loop 2670 | libgromacs_mpi.so.7 | 0.02 | 0.02 | 0.01 | ||||||||||||||
►loop 2671 | libgromacs_mpi.so.7 | 0.24 | 0.18 | 0.13 | ||||||||||||||
○loop 2672 | libgromacs_mpi.so.7 | 0.2 | 0.14 | 0.11 | ||||||||||||||
○loop 2673 | libgromacs_mpi.so.7 | 0.03 | 0.05 | 0.02 | ||||||||||||||
○loop 2664 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 2663 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 2675 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 2676 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►std::enable_if | libgromacs_mpi.so.7 | 0.51 | 0.43 | 0.49 | 0.49 | 0.61 | 0.37 | 0.31 | 0.35 | 0.34 | 0.44 | 0.27 | 0.24 | 0.26 | 0.26 | 0.33 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 19336 | libgromacs_mpi.so.7 | 0.51 | 0.37 | 0.27 | ||||||||||||||
►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 | 0.51 | 0.48 | 0.50 | 0.51 | 0.53 | 0.35 | 0.33 | 0.36 | 0.36 | 0.42 | 0.27 | 0.26 | 0.27 | 0.27 | 0.29 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 5126 | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0.01 | ||||||||||||||
○loop 5127 | libgromacs_mpi.so.7 | 0.14 | 0.1 | 0.08 | ||||||||||||||
►loop 5129 | libgromacs_mpi.so.7 | 0.14 | 0.11 | 0.07 | ||||||||||||||
○loop 5130 | libgromacs_mpi.so.7 | 0.2 | 0.18 | 0.11 | ||||||||||||||
○loop 5128 | libgromacs_mpi.so.7 | 0.02 | 0.05 | 0.01 | ||||||||||||||
►__intel_skx_avx512_memcpy | gmx_mpi | 0.48 | 0.45 | 0.49 | 0.49 | 0.52 | 0.69 | 0.61 | 0.79 | 0.79 | 0.98 | 0.26 | 0.25 | 0.26 | 0.26 | 0.28 | 31 | Memory (%): 100.00 |
○loop 127 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 126 | gmx_mpi | 0 | 0.05 | 0 | ||||||||||||||
►L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_1010__par_region4_2_4 | libgromacs_mpi.so.7 | 0.45 | 0.43 | 0.45 | 0.45 | 0.47 | 0.32 | 0.29 | 0.32 | 0.32 | 0.38 | 0.24 | 0.23 | 0.24 | 0.24 | 0.25 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 21710 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21714 | libgromacs_mpi.so.7 | 0.08 | 0.12 | 0.04 | ||||||||||||||
○loop 21715 | libgromacs_mpi.so.7 | 0.19 | 0.15 | 0.1 | ||||||||||||||
►loop 21711 | libgromacs_mpi.so.7 | 0.07 | 0.07 | 0.04 | ||||||||||||||
○loop 21713 | libgromacs_mpi.so.7 | 0.07 | 0.06 | 0.04 | ||||||||||||||
○loop 21712 | libgromacs_mpi.so.7 | 0.04 | 0.05 | 0.02 | ||||||||||||||
○loop 21716 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○kmp_flag_native | libiomp5.so | 0.43 | 0.41 | 0.43 | 0.43 | 0.47 | 0.42 | 0.33 | 0.39 | 0.39 | 0.45 | 0.23 | 0.22 | 0.23 | 0.23 | 0.26 | 31 | OMP (%): 100.00 |
○_INTERNAL8eaaea23::__kmp_hyper_barrier_gather(barrier_type, kmp_info*, int, int, void (*)(void*, void*), void*) | libiomp5.so | 0.38 | 0.34 | 0.38 | 0.38 | 0.42 | 2.15 | 1.78 | 2.07 | 2.04 | 2.44 | 0.21 | 0.19 | 0.20 | 0.2 | 0.23 | 31 | OMP (%): 100.00 |
►_INTERNAL1bba7552::gmx::do_lincs(_INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector | libgromacs_mpi.so.7 | 0.35 | 0.33 | 0.35 | 0.35 | 0.37 | 0.28 | 0.25 | 0.29 | 0.28 | 0.36 | 0.19 | 0.18 | 0.19 | 0.19 | 0.2 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 18645 | libgromacs_mpi.so.7 | 0.02 | 0.03 | 0.01 | ||||||||||||||
○loop 18646 | libgromacs_mpi.so.7 | 0.26 | 0.21 | 0.14 | ||||||||||||||
○loop 18637 | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0 | ||||||||||||||
○loop 18644 | libgromacs_mpi.so.7 | 0.01 | 0.04 | 0.01 | ||||||||||||||
○loop 18638 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 18642 | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | ||||||||||||||
○loop 18643 | libgromacs_mpi.so.7 | 0.03 | 0.04 | 0.02 | ||||||||||||||
○loop 18639 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 18641 | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | ||||||||||||||
○loop 18640 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►L__ZN3gmx6Update4Impl13finish_updateERK10t_inputrecbiNS_8ArrayRefIKtEEP7t_stateP13gmx_wallcycleb_1637__par_region0_2_148 | libgromacs_mpi.so.7 | 0.33 | 0.32 | 0.34 | 0.33 | 0.35 | 0.26 | 0.22 | 0.25 | 0.25 | 0.29 | 0.18 | 0.17 | 0.18 | 0.18 | 0.19 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 19339 | libgromacs_mpi.so.7 | 0.33 | 0.25 | 0.18 | ||||||||||||||
►solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int) | libgromacs_mpi.so.7 | 0.33 | 0.31 | 0.36 | 0.32 | 1.62 | 0.23 | 0.2 | 0.26 | 0.23 | 1.04 | 0.18 | 0.16 | 0.20 | 0.17 | 0.88 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 21637 | libgromacs_mpi.so.7 | 0.11 | 0.1 | 0.06 | ||||||||||||||
○loop 21659 | libgromacs_mpi.so.7 | 0.05 | 0.04 | 0.03 | ||||||||||||||
○loop 21660 | libgromacs_mpi.so.7 | 0.04 | 0.04 | 0.02 | ||||||||||||||
○loop 21643 | libgromacs_mpi.so.7 | 0.04 | 0.04 | 0.02 | ||||||||||||||
○loop 21639 | libgromacs_mpi.so.7 | 0.02 | 0.04 | 0.01 | ||||||||||||||
○loop 21647 | libgromacs_mpi.so.7 | 0.02 | 0.02 | 0.01 | ||||||||||||||
○loop 21650 | libgromacs_mpi.so.7 | 0.02 | 0.02 | 0.01 | ||||||||||||||
○loop 21652 | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0 | ||||||||||||||
○loop 21644 | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0.01 | ||||||||||||||
○loop 21648 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21642 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21645 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21654 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21655 | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | ||||||||||||||
○loop 21646 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21651 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21657 | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | ||||||||||||||
○loop 21658 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21649 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21656 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21641 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21640 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21638 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21653 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►_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*, float*) | libgromacs_mpi.so.7 | 0.33 | 0.3 | 0.33 | 0.33 | 0.34 | 0.28 | 0.23 | 0.28 | 0.28 | 0.34 | 0.17 | 0.17 | 0.18 | 0.18 | 0.18 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 18662 | libgromacs_mpi.so.7 | 0.32 | 0.28 | 0.17 | ||||||||||||||
►copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int) | libgromacs_mpi.so.7 | 0.32 | 0.28 | 0.31 | 0.31 | 0.34 | 0.42 | 0.34 | 0.40 | 0.4 | 0.51 | 0.17 | 0.15 | 0.17 | 0.16 | 0.18 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 1580 | libgromacs_mpi.so.7 | 0.31 | 0.41 | 0.16 | ||||||||||||||
○loop 1579 | libgromacs_mpi.so.7 | 0.01 | 0.03 | 0.01 | ||||||||||||||
○loop 1575 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1570 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1574 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1572 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1577 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1581 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1573 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1583 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1582 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1571 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1576 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1578 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►void _INTERNAL5738f0d5::do_pairs_simple | libgromacs_mpi.so.7 | 0.31 | 0.29 | 0.30 | 0.3 | 0.32 | 0.23 | 0.2 | 0.23 | 0.23 | 0.26 | 0.16 | 0.15 | 0.16 | 0.16 | 0.17 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 21183 | libgromacs_mpi.so.7 | 0.31 | 0.23 | 0.16 | ||||||||||||||
○void _INTERNALc075c6e4::gmx::__regcall3__gatherLoadBySimdIntTranspose<3, _INTERNALc075c6e4::gmx::SimdFloat*, _INTERNALc075c6e4::gmx::SimdFloat*>(float const*, _INTERNALc075c6e4::gmx::SimdFInt32, _INTERNALc075c6e4::gmx::SimdFloat*, _INTERNALc075c6e4::gmx::S... | libgromacs_mpi.so.7 | 0.28 | 0.27 | 0.28 | 0.28 | 0.31 | 0.3 | 0.23 | 0.30 | 0.29 | 0.35 | 0.15 | 0.14 | 0.15 | 0.15 | 0.17 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○_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 | 0.27 | 0.25 | 0.27 | 0.27 | 0.28 | 0.19 | 0.17 | 0.20 | 0.2 | 0.25 | 0.14 | 0.13 | 0.14 | 0.14 | 0.15 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►pbc_dx_aiuc(t_pbc const*, float const*, float const*, float*) | libgromacs_mpi.so.7 | 0.26 | 0.24 | 0.25 | 0.25 | 0.27 | 0.27 | 0.21 | 0.24 | 0.24 | 0.29 | 0.14 | 0.13 | 0.13 | 0.13 | 0.15 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 5554 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 5555 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○void _INTERNAL4f3e572d::gmx::__regcall3__transposeScatterStoreU<3>(float*, int const*, _INTERNAL4f3e572d::gmx::SimdFloat, _INTERNAL4f3e572d::gmx::SimdFloat, _INTERNAL4f3e572d::gmx::SimdFloat) | libgromacs_mpi.so.7 | 0.25 | 0.25 | 0.26 | 0.26 | 0.27 | 0.19 | 0.18 | 0.21 | 0.2 | 0.25 | 0.14 | 0.13 | 0.14 | 0.14 | 0.15 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNALc075c6e4::(anonymous namespace)::angles<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float,... | libgromacs_mpi.so.7 | 0.24 | 0.21 | 0.23 | 0.23 | 0.24 | 0.22 | 0.17 | 0.21 | 0.2 | 0.27 | 0.13 | 0.11 | 0.12 | 0.12 | 0.13 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 20843 | libgromacs_mpi.so.7 | 0.24 | 0.22 | 0.13 | ||||||||||||||
○_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 | 0.23 | 0.22 | 0.23 | 0.23 | 0.25 | 0.18 | 0.16 | 0.18 | 0.19 | 0.22 | 0.12 | 0.12 | 0.13 | 0.13 | 0.13 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○mkl_dft_avx512_ipps_cFFTinv_64_32fc | libmkl_avx512.so.2 | 0.22 | 0.2 | 0.21 | 0.21 | 0.23 | 0.15 | 0.14 | 0.16 | 0.16 | 0.19 | 0.12 | 0.11 | 0.11 | 0.11 | 0.12 | 31 | Math (%): 100.00 |
○void _INTERNALc075c6e4::gmx::__regcall3__transposeScatterIncrU<4>(float*, int const*, _INTERNALc075c6e4::gmx::SimdFloat, _INTERNALc075c6e4::gmx::SimdFloat, _INTERNALc075c6e4::gmx::SimdFloat) | libgromacs_mpi.so.7 | 0.2 | 0.17 | 0.19 | 0.19 | 0.2 | 0.16 | 0.13 | 0.15 | 0.15 | 0.17 | 0.11 | 0.1 | 0.10 | 0.1 | 0.11 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►_INTERNALa817b2b7::nbnxn_atomdata_add_nbat_f_to_f_part(Nbnxm::GridSet const&, nbnxn_atomdata_t const&, nbnxn_atomdata_output_t const&, int, int, float (*) [3]) | libgromacs_mpi.so.7 | 0.2 | 0.18 | 0.19 | 0.19 | 0.21 | 0.15 | 0.14 | 0.16 | 0.15 | 0.21 | 0.11 | 0.1 | 0.10 | 0.1 | 0.11 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 1588 | libgromacs_mpi.so.7 | 0.2 | 0.15 | 0.11 | ||||||||||||||
○loop 1587 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1589 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1586 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►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 | libgromacs_mpi.so.7 | 0.17 | 0.16 | 0.17 | 0.17 | 0.18 | 0.17 | 0.11 | 0.14 | 0.14 | 0.17 | 0.09 | 0.08 | 0.09 | 0.09 | 0.1 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 21179 | libgromacs_mpi.so.7 | 0.17 | 0.17 | 0.09 | ||||||||||||||
○_INTERNALf8156861::gmx::SimdFloat _INTERNALf8156861::gmx::__regcall3__exp<(MathOptimization)0>(_INTERNALf8156861::gmx::SimdFloat) | libgromacs_mpi.so.7 | 0.17 | 0.15 | 0.16 | 0.16 | 0.18 | 0.14 | 0.11 | 0.15 | 0.14 | 0.24 | 0.09 | 0.08 | 0.09 | 0.09 | 0.09 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►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 const*, float, ... | libgromacs_mpi.so.7 | 0.16 | 0.16 | 0.16 | 0.16 | 0.17 | 0.14 | 0.12 | 0.14 | 0.14 | 0.17 | 0.09 | 0.08 | 0.09 | 0.09 | 0.09 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 20856 | libgromacs_mpi.so.7 | 0.16 | 0.14 | 0.09 | ||||||||||||||
►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], t_pbc const... | libgromacs_mpi.so.7 | 0.16 | 0.15 | 0.17 | 0.17 | 0.18 | 0.14 | 0.12 | 0.15 | 0.15 | 0.17 | 0.09 | 0.08 | 0.09 | 0.09 | 0.1 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 20945 | libgromacs_mpi.so.7 | 0.15 | 0.13 | 0.08 | ||||||||||||||
○loop 20946 | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0.01 | ||||||||||||||
○_INTERNAL8eaaea23::__kmp_hyper_barrier_release(barrier_type, kmp_info*, int, int, int, void*) | libiomp5.so | 0.16 | 0.14 | 0.16 | 0.16 | 0.17 | 0.56 | 0.42 | 0.48 | 0.47 | 0.58 | 0.09 | 0.08 | 0.08 | 0.08 | 0.09 | 31 | OMP (%): 100.00 |
►_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 | 0.15 | 0.13 | 0.14 | 0.15 | 0.15 | 0.16 | 0.13 | 0.16 | 0.16 | 0.19 | 0.08 | 0.07 | 0.08 | 0.08 | 0.08 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 18657 | libgromacs_mpi.so.7 | 0.15 | 0.16 | 0.08 | ||||||||||||||
○DftiComputeBackward | libmkl_intel_lp64.so.2 | 0.14 | 0.13 | 0.14 | 0.14 | 0.15 | 0.14 | 0.1 | 0.13 | 0.13 | 0.15 | 0.08 | 0.07 | 0.08 | 0.08 | 0.08 | 31 | Math (%): 100.00 |
►unwrap_periodic_pmegrid(gmx_pme_t*, float*) | libgromacs_mpi.so.7 | 0.12 | 0.12 | 0.13 | 0.13 | 0.14 | 0.11 | 0.1 | 0.12 | 0.11 | 0.15 | 0.07 | 0.06 | 0.07 | 0.07 | 0.07 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 21467 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21468 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21470 | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | ||||||||||||||
○loop 21469 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21459 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21460 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21462 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21461 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21463 | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | ||||||||||||||
►loop 21464 | libgromacs_mpi.so.7 | 0.05 | 0.05 | 0.02 | ||||||||||||||
○loop 21465 | libgromacs_mpi.so.7 | 0.07 | 0.09 | 0.04 | ||||||||||||||
○loop 21466 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○DftiComputeForward | libmkl_intel_lp64.so.2 | 0.12 | 0.1 | 0.12 | 0.12 | 0.16 | 0.1 | 0.09 | 0.12 | 0.11 | 0.2 | 0.06 | 0.05 | 0.07 | 0.06 | 0.09 | 31 | Math (%): 100.00 |
►void _INTERNAL4f3e572d::gmx::settleTemplate<_INTERNAL4f3e572d::gmx::SimdFloat, _INTERNAL4f3e572d::gmx::SimdFBool, 16, float const*, true, false>(_INTERNAL4f3e572d::gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*, float (... | libgromacs_mpi.so.7 | 0.12 | 0.11 | 0.12 | 0.12 | 0.14 | 0.09 | 0.09 | 0.11 | 0.11 | 0.13 | 0.06 | 0.06 | 0.07 | 0.07 | 0.07 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 19100 | libgromacs_mpi.so.7 | 0.12 | 0.09 | 0.06 | ||||||||||||||
○__libm_atan2f_l9 | libgromacs_mpi.so.7 | 0.11 | 0.1 | 0.11 | 0.11 | 0.12 | 0.1 | 0.1 | 0.12 | 0.12 | 0.15 | 0.06 | 0.05 | 0.06 | 0.06 | 0.06 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►L__ZN17_INTERNAL727fa8dd19calc_ke_part_normalEN3gmx8ArrayRefIKNS0_11BasicVectorIfEEEEPK9t_grpoptsPK9t_mdatomsP14gmx_ekindata_tP6t_nrnbb_113__par_region0_2_11 | libgromacs_mpi.so.7 | 0.11 | 0.1 | 0.11 | 0.11 | 0.11 | 0.09 | 0.08 | 0.09 | 0.09 | 0.12 | 0.06 | 0.05 | 0.06 | 0.06 | 0.06 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 18773 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 18774 | libgromacs_mpi.so.7 | 0.11 | 0.08 | 0.06 | ||||||||||||||
○loop 18775 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○mkl_dft_avx512_owns_cCcsRecombine_32f | libmkl_avx512.so.2 | 0.1 | 0.09 | 0.10 | 0.1 | 0.1 | 0.09 | 0.07 | 0.09 | 0.09 | 0.12 | 0.05 | 0.05 | 0.05 | 0.05 | 0.06 | 31 | Math (%): 100.00 |
►_INTERNALb293ce76::setExclusionsForIEntry(Nbnxm::GridSet const&, NbnxnPairlistCpu*, bool, int, nbnxn_ci_t const&, gmx::ListOfLists | libgromacs_mpi.so.7 | 0.1 | 0.08 | 0.09 | 0.09 | 0.11 | 0.09 | 0.07 | 0.09 | 0.09 | 0.12 | 0.05 | 0.05 | 0.05 | 0.05 | 0.06 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 2702 | libgromacs_mpi.so.7 | 0.02 | 0.02 | 0.01 | ||||||||||||||
►loop 2703 | libgromacs_mpi.so.7 | 0.05 | 0.05 | 0.03 | ||||||||||||||
○loop 2704 | libgromacs_mpi.so.7 | 0.02 | 0.04 | 0.01 | ||||||||||||||
○loop 2705 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►L__ZN17_INTERNALc686538717setupForceOutputsEP18ForceHelperBuffersN3gmx19ArrayRefWithPaddingINS2_11BasicVectorIfEEEERKNS2_22DomainLifetimeWorkloadERKNS2_12StepWorkloadEbP13gmx_wallcycle_473__par_region0_2_126 | libgromacs_mpi.so.7 | 0.09 | 0.09 | 0.10 | 0.1 | 0.11 | 0.09 | 0.07 | 0.09 | 0.09 | 0.14 | 0.05 | 0.05 | 0.05 | 0.05 | 0.06 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 19165 | libgromacs_mpi.so.7 | 0.09 | 0.09 | 0.05 | ||||||||||||||
○mkl_dft_avx512_ippsFFTFwd_RToPerm_32f | libmkl_avx512.so.2 | 0.09 | 0.08 | 0.09 | 0.09 | 0.1 | 0.11 | 0.11 | 0.13 | 0.12 | 0.17 | 0.05 | 0.04 | 0.05 | 0.05 | 0.05 | 31 | Math (%): 100.00 |
○__libm_sse2_sincosf | libgromacs_mpi.so.7 | 0.09 | 0.09 | 0.10 | 0.1 | 0.11 | 0.09 | 0.08 | 0.09 | 0.09 | 0.13 | 0.05 | 0.05 | 0.05 | 0.05 | 0.06 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNALc075c6e4::(anonymous namespace)::angles<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc cons... | libgromacs_mpi.so.7 | 0.09 | 0.08 | 0.09 | 0.09 | 0.1 | 0.07 | 0.07 | 0.09 | 0.09 | 0.12 | 0.05 | 0.04 | 0.05 | 0.05 | 0.05 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 20932 | libgromacs_mpi.so.7 | 0.09 | 0.07 | 0.05 | ||||||||||||||
○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 | 0.08 | 0.07 | 0.08 | 0.08 | 0.09 | 0.07 | 0.07 | 0.09 | 0.09 | 0.11 | 0.04 | 0.04 | 0.04 | 0.04 | 0.05 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►_INTERNAL051658ea::atoms_to_settles(gmx_domdec_t*, gmx_mtop_t const&, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.08 | 0.07 | 0.07 | 0.07 | 0.08 | 0.08 | 0.06 | 0.08 | 0.08 | 0.12 | 0.04 | 0.03 | 0.04 | 0.04 | 0.04 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 3697 | libgromacs_mpi.so.7 | 0.06 | 0.07 | 0.03 | ||||||||||||||
►loop 3698 | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0 | ||||||||||||||
○loop 3709 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3703 | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0 | ||||||||||||||
○loop 3699 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3700 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3707 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3708 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3701 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3705 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3710 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3702 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3706 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3704 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►_INTERNAL568e5334::do_update_md(int, int, float, long, float const (*) [3], float (*) [3], float (*) [3], float const (*) [3], TemperatureCoupling, PressureCoupling, int, int, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.07 | 0.06 | 0.07 | 0.07 | 0.1 | 0.07 | 0.06 | 0.07 | 0.07 | 0.1 | 0.04 | 0.03 | 0.04 | 0.04 | 0.05 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 19308 | libgromacs_mpi.so.7 | 0.07 | 0.07 | 0.04 | ||||||||||||||
○loop 19309 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 19311 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 19310 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►_INTERNALb293ce76::closeIEntry(NbnxnPairlistCpu*, int, bool, float, int, int) | libgromacs_mpi.so.7 | 0.07 | 0.07 | 0.07 | 0.07 | 0.08 | 0.07 | 0.06 | 0.07 | 0.07 | 0.1 | 0.04 | 0.04 | 0.04 | 0.04 | 0.04 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 2681 | libgromacs_mpi.so.7 | 0.02 | 0.02 | 0.01 | ||||||||||||||
○loop 2680 | libgromacs_mpi.so.7 | 0.02 | 0.03 | 0.01 | ||||||||||||||
○loop 2682 | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0.01 | ||||||||||||||
○loop 2685 | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | ||||||||||||||
○loop 2683 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 2686 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 2684 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○gmx_fft_1d(gmx_fft*, gmx_fft_direction, void*, void*) | libgromacs_mpi.so.7 | 0.07 | 0.07 | 0.08 | 0.08 | 0.1 | 0.06 | 0.06 | 0.09 | 0.08 | 0.12 | 0.04 | 0.04 | 0.05 | 0.05 | 0.06 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○bond_angle(float const*, float const*, float const*, t_pbc const*, float*, float*, float*, int*, int*) | libgromacs_mpi.so.7 | 0.06 | 0.06 | 0.07 | 0.07 | 0.07 | 0.06 | 0.06 | 0.07 | 0.07 | 0.11 | 0.03 | 0.03 | 0.04 | 0.04 | 0.04 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○_INTERNALc075c6e4::gmx::__regcall3__atan(_INTERNALc075c6e4::gmx::SimdFloat) | libgromacs_mpi.so.7 | 0.06 | 0.06 | 0.07 | 0.07 | 0.07 | 0.06 | 0.06 | 0.07 | 0.07 | 0.09 | 0.03 | 0.03 | 0.04 | 0.04 | 0.04 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○void _INTERNAL5738f0d5::gmx::__regcall3__transposeScatterIncrU<4>(float*, int const*, _INTERNAL5738f0d5::gmx::SimdFloat, _INTERNAL5738f0d5::gmx::SimdFloat, _INTERNAL5738f0d5::gmx::SimdFloat) | libgromacs_mpi.so.7 | 0.06 | 0.06 | 0.06 | 0.06 | 0.07 | 0.07 | 0.05 | 0.07 | 0.07 | 0.09 | 0.03 | 0.03 | 0.03 | 0.03 | 0.04 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○void _INTERNAL5738f0d5::gmx::__regcall3__transposeScatterDecrU<4>(float*, int const*, _INTERNAL5738f0d5::gmx::SimdFloat, _INTERNAL5738f0d5::gmx::SimdFloat, _INTERNAL5738f0d5::gmx::SimdFloat) | libgromacs_mpi.so.7 | 0.06 | 0.05 | 0.06 | 0.06 | 0.06 | 0.05 | 0.05 | 0.06 | 0.06 | 0.07 | 0.03 | 0.03 | 0.03 | 0.03 | 0.03 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►gmx::ThreadForceBuffer | libgromacs_mpi.so.7 | 0.06 | 0.05 | 0.05 | 0.05 | 0.06 | 0.08 | 0.06 | 0.08 | 0.07 | 0.11 | 0.03 | 0.03 | 0.03 | 0.03 | 0.03 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 5253 | libgromacs_mpi.so.7 | 0.04 | 0.07 | 0.02 | ||||||||||||||
○loop 5254 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 5255 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 5252 | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0 | ||||||||||||||
○loop 5250 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 5246 | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | ||||||||||||||
○loop 5249 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 5248 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 5251 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 5247 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►_INTERNALb293ce76::setBufferFlags(NbnxnPairlistCpu const&, int, int, std::array | libgromacs_mpi.so.7 | 0.05 | 0.05 | 0.05 | 0.05 | 0.06 | 0.06 | 0.05 | 0.06 | 0.05 | 0.07 | 0.03 | 0.03 | 0.03 | 0.03 | 0.03 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 2701 | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0.01 | ||||||||||||||
○void _INTERNALc075c6e4::gmx::__regcall3__transposeScatterDecrU<4>(float*, int const*, _INTERNALc075c6e4::gmx::SimdFloat, _INTERNALc075c6e4::gmx::SimdFloat, _INTERNALc075c6e4::gmx::SimdFloat) | libgromacs_mpi.so.7 | 0.05 | 0.05 | 0.05 | 0.05 | 0.06 | 0.05 | 0.05 | 0.06 | 0.06 | 0.09 | 0.03 | 0.03 | 0.03 | 0.03 | 0.03 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○_INTERNALc075c6e4::gmx::__regcall3__sincos(_INTERNALc075c6e4::gmx::SimdFloat, _INTERNALc075c6e4::gmx::SimdFloat*, _INTERNALc075c6e4::gmx::SimdFloat*) | libgromacs_mpi.so.7 | 0.05 | 0.05 | 0.06 | 0.06 | 0.06 | 0.05 | 0.05 | 0.06 | 0.06 | 0.08 | 0.03 | 0.03 | 0.03 | 0.03 | 0.03 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►void _INTERNAL80d859f8::make_exclusions_zone | libgromacs_mpi.so.7 | 0.05 | 0.04 | 0.05 | 0.05 | 0.05 | 0.05 | 0.04 | 0.05 | 0.05 | 0.07 | 0.03 | 0.02 | 0.02 | 0.02 | 0.03 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 3913 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3909 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3908 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3907 | libgromacs_mpi.so.7 | 0.02 | 0.02 | 0.01 | ||||||||||||||
►loop 3911 | libgromacs_mpi.so.7 | 0.03 | 0.04 | 0.02 | ||||||||||||||
○loop 3912 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3914 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3916 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3915 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3910 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○__kmp_init_implicit_task | libiomp5.so | 0.05 | 0.04 | 0.05 | 0.05 | 0.06 | 0.06 | 0.05 | 0.06 | 0.06 | 0.08 | 0.03 | 0.02 | 0.03 | 0.03 | 0.03 | 31 | OMP (%): 100.00 |
○compute_mg_row_fwd | libmkl_avx512.so.2 | 0.05 | 0.04 | 0.05 | 0.05 | 0.05 | 0.05 | 0.04 | 0.06 | 0.05 | 0.13 | 0.03 | 0.02 | 0.03 | 0.03 | 0.03 | 31 | Math (%): 100.00 |
○__libm_acosf_l9 | libgromacs_mpi.so.7 | 0.05 | 0.04 | 0.05 | 0.05 | 0.06 | 0.06 | 0.04 | 0.06 | 0.06 | 0.07 | 0.03 | 0.02 | 0.03 | 0.03 | 0.03 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►int _INTERNAL80d859f8::assignInteractionsForAtom | libgromacs_mpi.so.7 | 0.05 | 0.04 | 0.05 | 0.05 | 0.05 | 0.07 | 0.06 | 0.07 | 0.07 | 0.09 | 0.02 | 0.02 | 0.03 | 0.03 | 0.03 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 3941 | libgromacs_mpi.so.7 | 0.03 | 0.05 | 0.02 | ||||||||||||||
►loop 3950 | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0 | ||||||||||||||
○loop 3951 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3942 | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | ||||||||||||||
○loop 3952 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3943 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3948 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3946 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3944 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3949 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3947 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3945 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○compute_mg_row_bwd | libmkl_avx512.so.2 | 0.05 | 0.04 | 0.05 | 0.05 | 0.07 | 0.11 | 0.04 | 0.08 | 0.05 | 0.46 | 0.02 | 0.02 | 0.03 | 0.03 | 0.04 | 31 | Math (%): 100.00 |
►copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int) | libgromacs_mpi.so.7 | 0.05 | 0.04 | 0.04 | 0.04 | 0.05 | 0.05 | 0.04 | 0.05 | 0.05 | 0.07 | 0.02 | 0.02 | 0.02 | 0.02 | 0.03 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 21435 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21437 | libgromacs_mpi.so.7 | 0.04 | 0.05 | 0.02 | ||||||||||||||
○loop 21436 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○Unknown function | libgromacs_mpi.so.7 | 0.05 | 0.04 | 0.05 | 0.05 | 0.06 | 0.06 | 0.05 | 0.08 | 0.08 | 0.12 | 0.02 | 0.02 | 0.02 | 0.02 | 0.03 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○_INTERNALc075c6e4::gmx::__regcall3__asin(_INTERNALc075c6e4::gmx::SimdFloat) | libgromacs_mpi.so.7 | 0.04 | 0.03 | 0.04 | 0.04 | 0.04 | 0.05 | 0.04 | 0.05 | 0.05 | 0.08 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○mkl_dft_avx512_ippsFFTInv_CCSToR_32f | libmkl_avx512.so.2 | 0.04 | 0.03 | 0.04 | 0.04 | 0.04 | 0.04 | 0.04 | 0.05 | 0.05 | 0.06 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 31 | Math (%): 100.00 |
►_Z8calc_viriPA3_KfS1_PA3_fbS1#omp_region_0 | libgromacs_mpi.so.7 | 0.04 | 0.03 | 0.03 | 0.03 | 0.04 | 0.04 | 0.03 | 0.04 | 0.04 | 0.06 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 17903 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 17904 | libgromacs_mpi.so.7 | 0.04 | 0.04 | 0.02 | ||||||||||||||
►_INTERNAL6f8e2c7b::divide_bondeds_over_threads(bonded_threading_t*, bool, InteractionDefinitions const&) | libgromacs_mpi.so.7 | 0.04 | 0.04 | 0.04 | 0.04 | 0.04 | 1.01 | 0.94 | 1.02 | 1.01 | 1.11 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 21130 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21132 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21122 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21134 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21135 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21133 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21123 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21124 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21125 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21128 | libgromacs_mpi.so.7 | 0.04 | 1.01 | 0.02 | ||||||||||||||
○loop 21129 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21126 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21127 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21131 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○unknown_kernel_region | kernel | 0.04 | 0.03 | 0.03 | 0.03 | 0.04 | 0.08 | 0.05 | 0.09 | 0.09 | 0.14 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | 31 | System (%): 98.60 OMP (%): 0.80 Math (%): 0.59 MPI (%): 0.02 |
►_INTERNALc6865387::postProcessForces(t_commrec const*, long, t_nrnb*, gmx_wallcycle*, float const (*) [3], gmx::ArrayRef | libgromacs_mpi.so.7 | 0.04 | 0.03 | 0.03 | 0.03 | 0.04 | 0.04 | 0.03 | 0.04 | 0.04 | 0.06 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 19168 | libgromacs_mpi.so.7 | 0.03 | 0.04 | 0.02 | ||||||||||||||
○loop 19169 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○kmp_flag_native | libiomp5.so | 0.03 | 0.03 | 0.03 | 0.03 | 0.04 | 0.19 | 0.11 | 0.16 | 0.16 | 0.2 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 31 | OMP (%): 100.00 |
○_INTERNAL4f3e572d::__regcall3__pbc_dx_aiuc(float const*, gmx::SimdFloat const*, gmx::SimdFloat const*, gmx::SimdFloat*) | libgromacs_mpi.so.7 | 0.03 | 0.03 | 0.03 | 0.03 | 0.04 | 0.04 | 0.03 | 0.04 | 0.04 | 0.06 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►void _INTERNALb293ce76::copySelectedListRange | libgromacs_mpi.so.7 | 0.03 | 0.03 | 0.03 | 0.03 | 0.03 | 0.04 | 0.03 | 0.04 | 0.04 | 0.07 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 2820 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 2821 | libgromacs_mpi.so.7 | 0.03 | 0.04 | 0.02 | ||||||||||||||
○loop 2822 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 2823 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 2825 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 2824 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○mkl_dft_avx512_ippsDFTFwd_RToCCS_32f | libmkl_avx512.so.2 | 0.03 | 0.02 | 0.03 | 0.03 | 0.03 | 0.04 | 0.03 | 0.04 | 0.04 | 0.05 | 0.02 | 0.01 | 0.01 | 0.01 | 0.02 | 31 | Math (%): 100.00 |
○mkl_dft_avx512_ippsDFTInv_CCSToR_32f | libmkl_avx512.so.2 | 0.03 | 0.02 | 0.03 | 0.03 | 0.03 | 0.04 | 0.02 | 0.03 | 0.03 | 0.04 | 0.02 | 0.01 | 0.01 | 0.01 | 0.02 | 31 | Math (%): 100.00 |
○compute_1d_small_fwd | libmkl_avx512.so.2 | 0.03 | 0.02 | 0.03 | 0.03 | 0.03 | 0.04 | 0.03 | 0.04 | 0.04 | 0.08 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | 31 | Math (%): 100.00 |
○mkl_serv_verbose_mode | libmkl_core.so.2 | 0.03 | 0.02 | 0.03 | 0.03 | 0.03 | 0.04 | 0.03 | 0.04 | 0.04 | 0.05 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | 31 | Math (%): 100.00 |
○__kmp_barrier | libiomp5.so | 0.03 | 0.02 | 0.03 | 0.03 | 0.03 | 0.04 | 0.03 | 0.04 | 0.04 | 0.05 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | 31 | OMP (%): 100.00 |
►gmx_fft_1d_real(gmx_fft*, gmx_fft_direction, void*, void*) | libgromacs_mpi.so.7 | 0.03 | 0.03 | 0.03 | 0.03 | 0.03 | 0.04 | 0.03 | 0.04 | 0.04 | 0.06 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 21867 | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0 | ||||||||||||||
►_INTERNALc226143a::energyDrift(gmx::ArrayRef | libgromacs_mpi.so.7 | 0.03 | 0.03 | 0.03 | 0.03 | 0.03 | 0.75 | 0.71 | 0.78 | 0.77 | 0.83 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 17833 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 17834 | libgromacs_mpi.so.7 | 0.03 | 0.75 | 0.01 | ||||||||||||||
○compute_1d_small_bwd | libmkl_avx512.so.2 | 0.03 | 0.02 | 0.03 | 0.03 | 0.03 | 0.04 | 0.03 | 0.04 | 0.04 | 0.05 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 31 | Math (%): 100.00 |
○__kmp_launch_thread | libiomp5.so | 0.03 | 0.03 | 0.03 | 0.03 | 0.05 | 0.03 | 0.03 | 0.05 | 0.05 | 0.06 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 31 | OMP (%): 100.00 |
►gmx_fft_many_1d(gmx_fft*, gmx_fft_direction, void*, void*) | libgromacs_mpi.so.7 | 0.03 | 0.02 | 0.02 | 0.02 | 0.03 | 0.04 | 0.02 | 0.03 | 0.03 | 0.05 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 21783 | libgromacs_mpi.so.7 | 0.02 | 0.03 | 0.01 | ||||||||||||||
○__kmp_join_barrier(int) | libiomp5.so | 0.02 | 0.02 | 0.02 | 0.02 | 0.03 | 0.03 | 0.02 | 0.03 | 0.03 | 0.06 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 31 | OMP (%): 100.00 |
○_INTERNALc075c6e4::gmx::SimdFloat _INTERNALc075c6e4::gmx::__regcall3__sqrt<(MathOptimization)0>(_INTERNALc075c6e4::gmx::SimdFloat) | libgromacs_mpi.so.7 | 0.02 | 0.02 | 0.03 | 0.03 | 0.03 | 0.03 | 0.02 | 0.04 | 0.04 | 0.05 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.02 | 0.02 | 0.02 | 0.02 | 0.03 | 0.03 | 0.02 | 0.03 | 0.04 | 0.04 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 18782 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 18781 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 18780 | libgromacs_mpi.so.7 | 0.02 | 0.03 | 0.01 | ||||||||||||||
○loop 18783 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►L__ZN17_INTERNAL1bba75523gmx18lincs_thread_setupEPNS0_5LincsEi_1695__par_region2_2_84 | libgromacs_mpi.so.7 | 0.02 | 0.02 | 0.02 | 0.02 | 0.03 | 0.02 | 0.02 | 0.03 | 0.03 | 0.04 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 18683 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 18684 | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0 | ||||||||||||||
►loop 18681 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 18682 | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0.01 | ||||||||||||||
►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 | libgromacs_mpi.so.7 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | 0.06 | 0.05 | 0.07 | 0.06 | 0.09 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 20860 | libgromacs_mpi.so.7 | 0.02 | 0.06 | 0.01 | ||||||||||||||
►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*, float (*... | libgromacs_mpi.so.7 | 0.02 | 0.02 | 0.02 | 0.02 | 0.03 | 0.02 | 0.02 | 0.03 | 0.03 | 0.04 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 19099 | libgromacs_mpi.so.7 | 0.02 | 0.02 | 0.01 | ||||||||||||||
○loop 19098 | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | ||||||||||||||
○__kmpc_for_static_init_4u | libiomp5.so | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | 0.04 | 0.02 | 0.04 | 0.04 | 0.05 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 31 | OMP (%): 100.00 |
○__kmp_invoke_microtask | libiomp5.so | 0.02 | 0.01 | 0.02 | 0.02 | 0.03 | 0.04 | 0.02 | 0.03 | 0.04 | 0.05 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 31 | OMP (%): 100.00 |
►_INTERNAL5ce61142::Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.03 | 0.03 | 0.04 | 0.04 | 0.05 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 1991 | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0 | ||||||||||||||
○loop 1995 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1996 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1994 | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0.01 | ||||||||||||||
○loop 1992 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1993 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►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], t_pbc cons... | libgromacs_mpi.so.7 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | 0.06 | 0.04 | 0.06 | 0.06 | 0.09 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 20947 | libgromacs_mpi.so.7 | 0.02 | 0.05 | 0.01 | ||||||||||||||
►_INTERNAL01945b58::calcBondedForces(InteractionDefinitions const&, bonded_threading_t*, float const (*) [3], t_forcerec const*, t_pbc const*, float (*) [3], gmx_enerdata_t*, t_nrnb*, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.03 | 0.03 | 0.04 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 21104 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21105 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21103 | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0.01 | ||||||||||||||
►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 const*, float,... | libgromacs_mpi.so.7 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.06 | 0.03 | 0.07 | 0.06 | 0.1 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 20857 | libgromacs_mpi.so.7 | 0.02 | 0.06 | 0.01 | ||||||||||||||
►void _INTERNALb293ce76::copySelectedListRange | libgromacs_mpi.so.7 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.04 | 0.04 | 0.05 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 2814 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 2815 | libgromacs_mpi.so.7 | 0.02 | 0.02 | 0.01 | ||||||||||||||
○loop 2817 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 2816 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 2818 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 2819 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○void __kmp_dispatch_deo | libiomp5.so | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 31 | OMP (%): 100.00 |
►void _INTERNALb293ce76::get_cell_range<1>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*) | libgromacs_mpi.so.7 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.03 | 0.03 | 0.04 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 2679 | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0 | ||||||||||||||
○loop 2678 | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | ||||||||||||||
►void _INTERNALb293ce76::get_cell_range<0>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*) | libgromacs_mpi.so.7 | 0.02 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.01 | 0.02 | 0.02 | 0.04 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 2687 | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0 | ||||||||||||||
○loop 2688 | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | ||||||||||||||
►Nbnxm::Grid::fillCell(Nbnxm::GridSetData*, nbnxn_atomdata_t*, int, int, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.03 | 0.02 | 0.03 | 0.03 | 0.04 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 1972 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1978 | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | ||||||||||||||
○loop 1976 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1979 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1975 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1974 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1977 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1973 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○__kmp_invoke_task_func | libiomp5.so | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.03 | 0.02 | 0.03 | 0.03 | 0.05 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 31 | OMP (%): 100.00 |
►L__ZN17_INTERNALc686538717setupForceOutputsEP18ForceHelperBuffersN3gmx19ArrayRefWithPaddingINS2_11BasicVectorIfEEEERKNS2_22DomainLifetimeWorkloadERKNS2_12StepWorkloadEbP13gmx_wallcycle_473__par_region4_2_128 | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 0.03 | 0.02 | 0.03 | 0.03 | 0.04 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 19163 | libgromacs_mpi.so.7 | 0.01 | 0.03 | 0.01 | ||||||||||||||
►setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&) | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.01 | 0.02 | 0.02 | 0.04 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 21119 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21118 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 21120 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21121 | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0.01 | ||||||||||||||
►std::vector | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 0.03 | 0.03 | 0.04 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 2874 | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0.01 | ||||||||||||||
○loop 2875 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 2872 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 2873 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►_INTERNAL051658ea::atoms_to_constraints(gmx_domdec_t*, gmx_mtop_t const&, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.34 | 0.29 | 0.33 | 0.33 | 0.38 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 3711 | libgromacs_mpi.so.7 | 0.01 | 0.17 | 0 | ||||||||||||||
►loop 3712 | libgromacs_mpi.so.7 | 0.01 | 0.17 | 0 | ||||||||||||||
○loop 3713 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3714 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○_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 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.01 | 0.02 | 0.02 | 0.03 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►L__Z10gmx_pme_doP9gmx_pme_tN3gmx8ArrayRefIKNS1_11BasicVectorIfEEEENS2_IS4_EENS2_IKfEES9_S9_S9_S9_S9_PA3_S8_PK9t_commreciiP6t_nrnbP13gmx_wallcyclePA3_fSK_PfSL_ffSL_SL_RKNS1_12StepWorkloadE_1401__par_region1_2_70 | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | 0.03 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 21286 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21288 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21284 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21289 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21285 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21287 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21282 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21283 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21291 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 21290 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►L__Z31nbnxn_atomdata_copy_x_to_nbat_xRKN5Nbnxm7GridSetEN3gmx12AtomLocalityEPA3_KfP16nbnxn_atomdata_t_993__par_region0_2_45 | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.03 | 0.01 | 0.02 | 0.02 | 0.04 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 1567 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 1568 | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | ||||||||||||||
○loop 1569 | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0 | ||||||||||||||
○void std::allocator_traits | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.32 | 0.28 | 0.32 | 0.32 | 0.39 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►gmx::ThreadedForceBuffer | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.31 | 0.29 | 0.35 | 0.34 | 0.47 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 5285 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 5290 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 5288 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 5289 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 5281 | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | ||||||||||||||
○loop 5287 | libgromacs_mpi.so.7 | 0.01 | 0.27 | 0.01 | ||||||||||||||
○loop 5283 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 5284 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 5286 | libgromacs_mpi.so.7 | 0 | 0.03 | 0 | ||||||||||||||
○loop 5291 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 5282 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►void std::vector | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.03 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 4010 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4013 | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | ||||||||||||||
○loop 4012 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4011 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4014 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►_INTERNAL1bba7552::gmx::set_lincs_matrix_task(_INTERNAL1bba7552::gmx::Lincs*, _INTERNAL1bba7552::gmx::Task*, _INTERNAL1bba7552::gmx::ArrayRef | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | 0.03 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 18665 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 18666 | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0.01 | ||||||||||||||
○loop 18667 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►gmx_fft_many_1d_real(gmx_fft*, gmx_fft_direction, void*, void*) | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | 0.04 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 21784 | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0 | ||||||||||||||
►_INTERNAL1bba7552::gmx::set_matrix_indices(_INTERNAL1bba7552::gmx::Lincs*, _INTERNAL1bba7552::gmx::Task const&, _INTERNAL1bba7552::gmx::ListOfLists | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | 0.04 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 18685 | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | ||||||||||||||
►loop 18688 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 18689 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 18690 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 18696 | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | ||||||||||||||
►loop 18693 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 18692 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 18694 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 18695 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 18686 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 18687 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 18697 | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | ||||||||||||||
○loop 18691 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►_INTERNAL5ce61142::Nbnxm::sort_cluster_on_flag(int, int, int, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | 0.03 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 1980 | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | ||||||||||||||
○loop 1984 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1982 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1981 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1983 | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | ||||||||||||||
○__libm_erfcf_ex | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.27 | 0.22 | 0.27 | 0.27 | 0.37 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►globalAtomIndexToMoltypeIndices(gmx::ArrayRef | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 0.01 | 0 | 0.00 | 0 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 4308 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►L__ZN17_INTERNAL53d1705a16nbnxn_kernel_cpuERK11PairlistSetRKN5Nbnxm11KernelSetupEP16nbnxn_atomdata_tRK19interaction_const_tN3gmx8ArrayRefIKNSC_11BasicVectorIfEEEERKNSC_12StepWorkloadEiPfSL_P13gmx_wallcycle_265__par_region0_2_20 | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | 0.03 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 2133 | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | ||||||||||||||
○loop 2145 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 2146 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 2136 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 2135 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 2134 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 2143 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 2138 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 2137 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 2139 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 2140 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 2141 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 2147 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 2144 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 2142 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 2148 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►_INTERNAL80d859f8::atomInMolblockFromGlobalAtomnr(gmx::ArrayRef | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.03 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 3927 | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | ||||||||||||||
○__kmpc_barrier | libiomp5.so | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | 0.03 | 0.01 | 0 | 0.00 | 0 | 0.01 | 31 | OMP (%): 100.00 |
►gmx::ThreadForceBuffer | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | 0.03 | 0.01 | 0 | 0.00 | 0 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 5233 | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0 | ||||||||||||||
○loop 5234 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 5242 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 5239 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 5244 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 5236 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 5237 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 5235 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 5240 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 5238 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 5243 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 5241 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○__kmp_enter_single | libiomp5.so | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.01 | 0.02 | 0.02 | 0.04 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 31 | OMP (%): 100.00 |
○__libm_exp_l9 | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.25 | 0.17 | 0.22 | 0.22 | 0.28 | 0 | 0 | 0.00 | 0 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►__intel_avx_memmove | gmx_mpi | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.25 | 0.19 | 0.25 | 0.25 | 0.33 | 0 | 0 | 0.01 | 0.01 | 0.01 | 31 | Memory (%): 100.00 |
○loop 67 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 115 | gmx_mpi | 0 | 0.03 | 0 | ||||||||||||||
○loop 92 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 83 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 80 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 105 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 79 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 68 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 108 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 106 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 123 | gmx_mpi | 0 | 0.04 | 0 | ||||||||||||||
○loop 60 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 107 | gmx_mpi | 0 | 0.04 | 0 | ||||||||||||||
○loop 122 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 96 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 117 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 61 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 64 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 104 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 93 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 69 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 109 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 98 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 112 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 110 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 119 | gmx_mpi | 0 | 0.01 | 0 | ||||||||||||||
○loop 99 | gmx_mpi | 0 | 0.03 | 0 | ||||||||||||||
○loop 82 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 118 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 125 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 124 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 102 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 75 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 114 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 95 | gmx_mpi | 0 | 0.01 | 0 | ||||||||||||||
○loop 73 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 113 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 87 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 91 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 103 | gmx_mpi | 0 | 0.02 | 0 | ||||||||||||||
○loop 78 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 70 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 111 | gmx_mpi | 0 | 0.02 | 0 | ||||||||||||||
○loop 88 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 66 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 89 | gmx_mpi | 0 | 0.01 | 0 | ||||||||||||||
○loop 77 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 81 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 90 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 76 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 84 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 101 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 71 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 65 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 94 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 72 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 59 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 74 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 62 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 100 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 85 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 58 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 120 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 63 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 86 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 97 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 121 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○loop 116 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○__kmp_finish_implicit_task | libiomp5.so | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | 0.03 | 0 | 0 | 0.00 | 0 | 0.01 | 31 | OMP (%): 100.00 |
○__kmpc_for_static_fini | libiomp5.so | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | 0.04 | 0 | 0 | 0.00 | 0 | 0.01 | 31 | OMP (%): 100.00 |
►_INTERNALb293ce76::reduce_buffer_flags(gmx::ArrayRef | libgromacs_mpi.so.7 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0.22 | 0.11 | 0.16 | 0.15 | 0.22 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 2826 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 2827 | libgromacs_mpi.so.7 | 0.01 | 0.22 | 0 | ||||||||||||||
○L__ZN3gmx15constrain_lincsEbRK10t_inputreclPNS_5LincsENS_8ArrayRefIKfEEPK9t_commrecPK14gmx_multisim_tNS_19ArrayRefWithPaddingIKNS_11BasicVectorIfEEEENSE_ISG_EENS5_ISG_EEPA3_S6_P5t_pbcbfPffSK_bPA3_fNS_18ConstraintVariableEP6t_nrnbiPi_2483__par_region0_2_21 | libgromacs_mpi.so.7 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | 0.03 | 0 | 0 | 0.00 | 0 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►gmx::Update::Impl::update_coords(t_inputrec const&, long, int, bool, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.03 | 0 | 0 | 0.00 | 0 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 19299 | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | ||||||||||||||
►loop 19300 | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | ||||||||||||||
○loop 19301 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 19302 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►_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 | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | 0.03 | 0 | 0 | 0.00 | 0 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 4287 | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | ||||||||||||||
►loop 4286 | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0 | ||||||||||||||
○loop 4290 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4289 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4288 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4291 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►void _INTERNAL83cfe191::orderVector | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.2 | 0.2 | 0.23 | 0.23 | 0.29 | 0 | 0 | 0.00 | 0 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 4134 | libgromacs_mpi.so.7 | 0 | 0.11 | 0 | ||||||||||||||
○loop 4133 | libgromacs_mpi.so.7 | 0 | 0.09 | 0 | ||||||||||||||
○mkl_serv_verbose_mode@plt | libmkl_intel_lp64.so.2 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.03 | 0 | 0 | 0.00 | 0 | 0.01 | 31 | Math (%): 100.00 |
○__sched_yield | libc.so.6 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | 0 | 0 | 0.00 | 0 | 0.01 | 31 | System (%): 100.00 |
○mkl_dft_avx512_transfer_ipp_mkl_error | libmkl_avx512.so.2 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | 0.03 | 0 | 0 | 0.00 | 0 | 0 | 31 | Math (%): 100.00 |
○__libm_expf_l9 | libgromacs_mpi.so.7 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0.18 | 0.1 | 0.16 | 0.16 | 0.21 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○_INTERNAL01945b58::(anonymous namespace)::calc_one_bond(int, int, InteractionDefinitions const&, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | 0.04 | 0 | 0 | 0.00 | 0 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►L__ZN3gmx11Constraints4Impl5applyEbblifNS_19ArrayRefWithPaddingINS_11BasicVectorIfEEEES5_NS_8ArrayRefIS4_EEPA3_KffPfS5_bPA3_fNS_18ConstraintVariableE_587__par_region0_2_174 | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.03 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 17979 | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | ||||||||||||||
○_INTERNAL1bba7552::gmx::lincs_update_atoms(_INTERNAL1bba7552::gmx::Lincs*, int, float, _INTERNAL1bba7552::gmx::ArrayRef | libgromacs_mpi.so.7 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 0 | 0 | 0.00 | 0 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○parse_printf_format | libc.so.6 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0.16 | 0.11 | 0.14 | 0.14 | 0.18 | 0 | 0 | 0.00 | 0 | 0 | 31 | IO (%): 100.00 |
○void std::allocator_traits | libgromacs_mpi.so.7 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0.16 | 0.1 | 0.14 | 0.14 | 0.17 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►set_pbc_simd(t_pbc const*, float*) | libgromacs_mpi.so.7 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.03 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 5621 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►gmx::ThreadedForceBuffer | libgromacs_mpi.so.7 | 0.01 | 0 | 0.00 | 0 | 0.01 | 0.14 | 0.05 | 0.12 | 0.13 | 0.17 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 5294 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 5295 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 5296 | libgromacs_mpi.so.7 | 0 | 0.02 | 0 | ||||||||||||||
►loop 5298 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 5297 | libgromacs_mpi.so.7 | 0 | 0.08 | 0 | ||||||||||||||
►loop 5292 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 5293 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 5299 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 5300 | libgromacs_mpi.so.7 | 0 | 0.04 | 0 | ||||||||||||||
○__kmpc_for_static_init_8u | libiomp5.so | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.03 | 0 | 0 | 0.00 | 0 | 0 | 31 | OMP (%): 100.00 |
►Nbnxm::Grid::calcColumnIndices(Nbnxm::Grid::Dimensions const&, gmx::UpdateGroupsCog const*, gmx::Range | libgromacs_mpi.so.7 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0 | 0 | 0.00 | 0 | 0.01 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 2005 | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0 | ||||||||||||||
○loop 2004 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 2006 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►int _INTERNAL80d859f8::make_bondeds_zone | libgromacs_mpi.so.7 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 3962 | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0 | ||||||||||||||
►loop 3963 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3964 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3967 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3968 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3970 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3965 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3966 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3969 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○__kmp_fork_barrier(int, int) | libiomp5.so | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.03 | 0 | 0 | 0.00 | 0 | 0 | 31 | OMP (%): 100.00 |
►_INTERNAL83cfe191::make_dd_indices(gmx_domdec_t*, int) | libgromacs_mpi.so.7 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0.13 | 0.08 | 0.13 | 0.13 | 0.17 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 4193 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4194 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4188 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4182 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4192 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4189 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 4183 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 4184 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 4185 | libgromacs_mpi.so.7 | 0.01 | 0.13 | 0 | ||||||||||||||
○loop 4186 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4187 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4190 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4191 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►_INTERNAL83cfe191::clearDDStateIndices(gmx_domdec_t*, bool) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0.01 | 0.13 | 0.08 | 0.12 | 0.12 | 0.18 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 4102 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 4097 | libgromacs_mpi.so.7 | 0 | 0.13 | 0 | ||||||||||||||
○loop 4098 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4103 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4105 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4101 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4104 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4106 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4099 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4100 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○_INTERNALb293ce76::icell_set_x_simd_2xnn(int, float, float, float, int, float const*, NbnxnPairlistCpuWork*) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.02 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○atan2f | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0.01 | 0.01 | 0 | 0.01 | 0.01 | 0.02 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__tls_get_addr | ld-linux-x86-64.so.2 | 0 | 0 | 0.00 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.03 | 0 | 0 | 0.00 | 0 | 0 | 31 | System (%): 96.73 OMP (%): 3.27 |
○_INTERNAL1bba7552::gmx::lincs_thread_setup(_INTERNAL1bba7552::gmx::Lincs*, int) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0.01 | 0.11 | 0.06 | 0.12 | 0.11 | 0.16 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::ArrayRefWithPadding | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0.02 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__kmp_yield | libiomp5.so | 0 | 0 | 0.00 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0 | 0 | 0.00 | 0 | 0 | 31 | OMP (%): 100.00 |
○L__Z12reduceForcesP16nbnxn_atomdata_tN3gmx12AtomLocalityERKN5Nbnxm7GridSetEPA3_f_1262__par_region0_2_48 | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○Nbnxm::Grid::setCellIndices(int, int, Nbnxm::GridSetData*, gmx::ArrayRef | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.1 | 0.05 | 0.08 | 0.09 | 0.12 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::make_at2con(int, gmx::ArrayRef | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0.01 | 0.1 | 0.06 | 0.10 | 0.1 | 0.14 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx_parallel_3dfft_real_limits(gmx_parallel_3dfft*, int*, int*, int*) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.02 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○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 | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.02 | 0.01 | 0.01 | 0.01 | 0.03 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__kmp_task_team_sync | libiomp5.so | 0 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.03 | 0 | 0 | 0.00 | 0 | 0 | 31 | OMP (%): 100.00 |
○_dl_deallocate_tls | ld-linux-x86-64.so.2 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.03 | 0 | 0 | 0.00 | 0 | 0 | 31 | OMP (%): 99.69 System (%): 0.31 |
○gmx::ThreadForceBuffer | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0.01 | 0.01 | 0 | 0.01 | 0.01 | 0.02 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__libm_cos_l9 | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0.01 | 0.01 | 0 | 0.01 | 0.01 | 0.02 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○make_dp_periodic(float*) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.02 | 0 | 0.01 | 0.01 | 0.03 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__kmp_api_omp_get_thread_num | libiomp5.so | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0.02 | 0 | 0 | 0.00 | 0 | 0 | 31 | OMP (%): 100.00 |
○void _INTERNAL83cfe191::orderVector | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.08 | 0.02 | 0.05 | 0.05 | 0.09 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○L__ZN17_INTERNALb293ce7620rebalanceSimpleListsEN3gmx8ArrayRefIK16NbnxnPairlistCpuEENS1_IS2_EENS1_I14PairsearchWorkEE_3681__par_region0_2_143 | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0.01 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○_INTERNALb293ce76::addNewIEntry(NbnxnPairlistCpu*, int, int, int) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0.02 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.06 | 0.01 | 0.04 | 0.04 | 0.07 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○splinedata_t::~splinedata_t() | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.06 | 0.05 | 0.09 | 0.09 | 0.13 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○_INTERNAL3b86f157::copyMovedAtomsToBufferPerAtom(gmx::ArrayRef | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.06 | 0.02 | 0.04 | 0.04 | 0.07 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○nral_rt(int) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0.02 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__kmp_resume_if_soft_paused | libiomp5.so | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 31 | OMP (%): 100.00 |
○nbnxn_atomdata_t::resizeForceBuffers() | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.05 | 0.04 | 0.06 | 0.07 | 0.08 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○acosf | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○void _INTERNALa73835ba::doStopComMotionLinear<3>(t_mdatoms const&, gmx::ArrayRef | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::SettleData::hw2() const | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::SettleData::hw3() const | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.02 | 0.02 | 0.04 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::ThreadForceBuffer | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.05 | 0.01 | 0.04 | 0.04 | 0.06 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__kmp_fork_call | libiomp5.so | 0 | 0 | 0.00 | 0 | 0 | 0.05 | 0.02 | 0.05 | 0.05 | 0.08 | 0 | 0 | 0.00 | 0 | 0 | 31 | OMP (%): 100.00 |
○_INTERNAL1bba7552::gmx::assign_constraint(_INTERNAL1bba7552::gmx::Lincs*, int, int, int, float, float, _INTERNAL1bba7552::gmx::ListOfLists | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.05 | 0.02 | 0.04 | 0.04 | 0.08 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx_parallel_3dfft_complex_limits(gmx_parallel_3dfft*, int*, int*, int*, int*) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__kmp_acquire_ticket_lock | libiomp5.so | 0 | 0 | 0.00 | 0 | 0 | 0.05 | 0.01 | 0.04 | 0.04 | 0.07 | 0 | 0 | 0.00 | 0 | 0 | 31 | OMP (%): 100.00 |
○gmx_parallel_3dfft_execute(gmx_parallel_3dfft*, gmx_fft_direction, int, gmx_wallcycle*) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::SettleData::ow1() const | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::csettle(gmx::SettleData const&, int, int, t_pbc const*, gmx::ArrayRefWithPadding | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○_INTERNALb293ce76::set_icell_bb_simple(gmx::ArrayRef | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○clear_fshift(float*) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__kmpc_single | libiomp5.so | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0.03 | 0 | 0 | 0.00 | 0 | 0 | 31 | OMP (%): 100.00 |
○std::vector | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.04 | 0.02 | 0.05 | 0.04 | 0.1 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○calc_vcm_grp(t_mdatoms const&, gmx::ArrayRef | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::ArrayRef | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○_INTERNALb293ce76::next_ci(Nbnxm::Grid const&, int, int, int*, int*, int*, int*) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0.02 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx_omp_get_thread_num() | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.02 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○@plt_start@ | libiomp5.so | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 31 | OMP (%): 100.00 |
○void _INTERNAL83cfe191::orderVector | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.04 | 0.01 | 0.05 | 0.05 | 0.07 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○Nbnxm::GridSet::setLocalAtomOrder() | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.04 | 0.01 | 0.04 | 0.04 | 0.06 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○_INTERNALa817b2b7::nbnxn_atomdata_set_ljcombparams(nbnxn_atomdata_t::Params*, int, Nbnxm::GridSet const&) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.04 | 0.02 | 0.04 | 0.03 | 0.07 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○_INTERNALc226143a::addAtomtype(std::vector | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.04 | 0 | 0.03 | 0.03 | 0.05 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__kmp_allocate_team | libiomp5.so | 0 | 0 | 0.00 | 0 | 0 | 0.04 | 0 | 0.03 | 0.03 | 0.08 | 0 | 0 | 0.00 | 0 | 0 | 31 | OMP (%): 100.00 |
○gmx_reverse_top_t::hasIntermolecularInteractions() const | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx_reverse_top_t::molblockIndices() const | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__kmp_run_after_invoked_task | libiomp5.so | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 31 | OMP (%): 100.00 |
○clearForceBuffer(nbnxn_atomdata_t*, int) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::SettleData::setConstraints(InteractionList const&, int, gmx::ArrayRef | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.03 | 0 | 0.02 | 0.02 | 0.04 | 0 | 0 | 0.00 | 0 | 0 | 29 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○_INTERNAL83cfe191::dd_sort_order_nbnxn(t_forcerec const*, std::vector | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.03 | 0.01 | 0.03 | 0.03 | 0.06 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○_INTERNALc39bc2c0::bonded_cg_distance_mol(gmx_moltype_t const*, gmx::DDBondedChecking, bool, gmx::ArrayRef | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.03 | 0 | 0.01 | 0.01 | 0.03 | 0 | 0 | 0.00 | 0 | 0 | 31 | |
○_IO_vfprintf | libc.so.6 | 0 | 0 | 0.00 | 0 | 0 | 0.03 | 0.02 | 0.05 | 0.05 | 0.09 | 0 | 0 | 0.00 | 0 | 0 | 31 | IO (%): 100.00 |
○__xpg_basename | libc.so.6 | 0 | 0 | 0.00 | 0 | 0 | 0.03 | 0 | 0.04 | 0.04 | 0.06 | 0 | 0 | 0.00 | 0 | 0 | 31 | System (%): 100.00 |
○SplineCoefficients::realloc(int) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.03 | 0 | 0.03 | 0.03 | 0.05 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○_INTERNAL3b86f157::copyMovedUpdateGroupCogs(gmx::ArrayRef | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.03 | 0 | 0.02 | 0.02 | 0.06 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__kmp_release_ticket_lock | libiomp5.so | 0 | 0 | 0.00 | 0 | 0 | 0.03 | 0.01 | 0.03 | 0.03 | 0.05 | 0 | 0 | 0.00 | 0 | 0 | 31 | OMP (%): 100.00 |
○_INTERNAL5ce61142::Nbnxm::combine_bounding_box_pairs(_INTERNAL5ce61142::Nbnxm::Grid const&, gmx::ArrayRef<_INTERNAL5ce61142::Nbnxm::BoundingBox const>, gmx::ArrayRef<_INTERNAL5ce61142::Nbnxm::BoundingBox>) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.03 | 0 | 0.02 | 0.02 | 0.04 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__kmpc_master | libiomp5.so | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 31 | OMP (%): 100.00 |
○mkl_dft_avx512_transfer_ipp_mkl_error@plt | libmkl_avx512.so.2 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0.02 | 0 | 0 | 0.00 | 0 | 0 | 31 | Math (%): 100.00 |
○_INTERNALbcb7f4c5::low_set_pbc(t_pbc*, PbcType, int const*, float const (*) [3]) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.03 | 0 | 0.02 | 0.01 | 0.04 | 0 | 0 | 0.00 | 0 | 0 | 31 | |
○__nss_database_lookup | libc.so.6 | 0 | 0 | 0.00 | 0 | 0 | 0.03 | 0 | 0.02 | 0.02 | 0.05 | 0 | 0 | 0.00 | 0 | 0 | 31 | Others (%): 100.00 |
○gmx_reverse_top_t::interactionListForMoleculeType(int) const | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__kmp_get_global_thread_id_reg | libiomp5.so | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 31 | OMP (%): 100.00 |
○L__ZN11PairlistSet18constructPairlistsEN3gmx19InteractionLocalityERKN5Nbnxm7GridSetENS0_8ArrayRefI14PairsearchWorkEEP16nbnxn_atomdata_tRKNS0_11ListOfListsIiEEiP6t_nrnbP19SearchCycleCounting_4092__par_region2_2_64 | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 21 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx_ga2la_t::clear(bool) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.02 | 0 | 0.02 | 0.02 | 0.04 | 0 | 0 | 0.00 | 0 | 0 | 30 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○_INTERNAL80d859f8::make_local_bondeds_excls(gmx_domdec_t const&, gmx_domdec_zones_t const&, gmx_mtop_t const&, gmx::ArrayRef | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.02 | 0.01 | 0.03 | 0.03 | 0.05 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○_INTERNALa817b2b7::nbnxn_atomdata_set_atomtypes(nbnxn_atomdata_t::Params*, Nbnxm::GridSet const&, gmx::ArrayRef | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.02 | 0 | 0.02 | 0.02 | 0.06 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○getGroupType(SimulationGroups const&, SimulationAtomGroupType, int) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0.02 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx_reverse_top_t::hasPositionRestraints() const | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 30 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○_INTERNAL3b86f157::getMovedBuffer(gmx_domdec_comm_t*, unsigned long, unsigned long) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.02 | 0 | 0.01 | 0.01 | 0.03 | 0 | 0 | 0.00 | 0 | 0 | 30 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__kmp_run_before_invoked_task | libiomp5.so | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 31 | OMP (%): 100.00 |
○gmx::ArrayRef | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○mkl_dft_avx512_owns_cRealRecombine_32f@plt | libmkl_avx512.so.2 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 31 | Math (%): 100.00 |
○Nbnxm::Grid::sortColumnsCpuGeometry(Nbnxm::GridSetData*, int, gmx::ArrayRef | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__kmpc_global_thread_num | libiomp5.so | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 31 | |
○xdr_float(XDR*, float*) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 11 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::LegacySimulator::do_md() | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0.04 | 0 | 0 | 0.00 | 0 | 0 | 29 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○nrnbIndex(int) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 9 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○getThreadAtomRange(int, int, int, int*, int*) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○CpuPpLongRangeNonbondeds::calculate(gmx_pme_t*, t_commrec const*, gmx::ArrayRef | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 17 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::Constraints::Impl::apply(bool, bool, long, int, float, gmx::ArrayRefWithPadding | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0.03 | 0 | 0 | 0.00 | 0 | 0 | 24 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○_INTERNAL3b86f157::clear_and_mark_ind(gmx::ArrayRef | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.03 | 0.03 | 0.07 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○dd_redistribute_cg(_IO_FILE*, long, gmx_domdec_t*, int*, t_state*, t_forcerec*, t_nrnb*, int*) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.02 | 0.02 | 0.04 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○dd_move_x_specat(gmx_domdec_t const*, gmx_domdec_specat_comm_t*, float const (*) [3], float (*) [3], float (*) [3], bool) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 12 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○dd_make_local_constraints(gmx_domdec_t*, int, gmx_mtop_t const&, gmx::ArrayRef | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.02 | 0.02 | 0.05 | 0 | 0 | 0.00 | 0 | 0 | 30 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__kmp_internal_fork | libiomp5.so | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0.01 | 0.03 | 0.03 | 0.06 | 0 | 0 | 0.00 | 0 | 0 | 31 | OMP (%): 100.00 |
○L__ZN11PairlistSet19dispatchPruneKernelEPK16nbnxn_atomdata_tN3gmx8ArrayRefIKNS3_11BasicVectorIfEEEE_68__par_region0_2_0 | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○nbnxn_atomdata_t::~nbnxn_atomdata_t() | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0.01 | 0.03 | 0.03 | 0.06 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__kmpc_fork_call | libiomp5.so | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.02 | 0.01 | 0.04 | 0 | 0 | 0.00 | 0 | 0 | 27 | OMP (%): 100.00 |
○gmx::InMemoryDeserializer::doFloat(float*) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0.03 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__libm_exp_k32 | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0.04 | 0 | 0 | 0.00 | 0 | 0 | 31 | |
○expf | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0.03 | 0 | 0 | 0.00 | 0 | 0 | 31 | |
○_INTERNAL0dd57185::xdrstdio_putint32(XDR*, int*) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 14 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::ArrayRef | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 7 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○PmeAtomComm::setNumAtoms(int) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 24 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx_pme_do(gmx_pme_t*, gmx::ArrayRef | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0.02 | 0 | 0 | 0.00 | 0 | 0 | 20 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○do_pairs(int, int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float const*, float*, gmx::ArrayRef | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 30 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○_INTERNAL1bba7552::gmx::set_lincs_matrix(_INTERNAL1bba7552::gmx::Lincs*, _INTERNAL1bba7552::gmx::ArrayRef | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0.01 | 0.02 | 0.03 | 0.04 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::constrain_lincs(bool, t_inputrec const&, long, gmx::Lincs*, gmx::ArrayRef | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0.02 | 0 | 0 | 0.00 | 0 | 0 | 22 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○constrained_atom_sigma2(float, atom_nonbonded_kinetic_prop_t const*, float*, float*) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0.01 | 0.02 | 0.02 | 0.04 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○inflate_fast | libmpi.so.12.0.0 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 30 | MPI (%): 100.00 |
○_INTERNALd0075a52::mk_grey(gmx::ArrayRef | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0.01 | 0.02 | 0.02 | 0.04 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::ForceProviders::calculateForces(gmx::ForceProviderInput const&, gmx::ForceProviderOutput*) const | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 8 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○dd_check_ftype(int, ReverseTopOptions const&) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0.02 | 0 | 0 | 0.00 | 0 | 0 | 29 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○wallcycle_start(gmx_wallcycle*, WallCycleCounter) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 17 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○_INTERNAL80d859f8::combine_idef(InteractionDefinitions*, gmx::ArrayRef | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 23 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__kmp_join_call | libiomp5.so | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.02 | 0.02 | 0.05 | 0 | 0 | 0.00 | 0 | 0 | 31 | OMP (%): 100.00 |
○void std::vector | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 24 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__libc_free | libc.so.6 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 15 | Memory (%): 100.00 |
○gmx::InMemoryDeserializer::doReal(float*) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 23 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○_dl_rtld_di_serinfo | ld-linux-x86-64.so.2 | 0 | 0 | 0.00 | 0 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0.02 | 0 | 0 | 0.00 | 0 | 0 | 31 | System (%): 100.00 |
○__libm_logf_l9 | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 14 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○exp | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.02 | 0 | 0 | 0.00 | 0 | 0 | 23 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○erfcf | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.04 | 0 | 0 | 0.00 | 0 | 0 | 31 | |
○cos | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○_INTERNAL932390f6::do_ilists(gmx::ISerializer*, std::array | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 8 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::ArrayRefWithPadding | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 6 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::PaddedVector | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 4 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○mkl_serv_malloc | libmkl_core.so.2 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 1 | Math (%): 100.00 |
○spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 17 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○ListedForces::haveCpuBondeds() const | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 10 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○ListedForces::calculate(gmx_wallcycle*, float const (*) [3], t_lambda const*, t_commrec const*, gmx_multisim_t const*, gmx::ArrayRefWithPadding | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 9 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○calculateSimpleBond(int, int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*, gmx::ArrayRef | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::ArrayRef | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 5 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::ArrayRef | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 6 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::ArrayRefWithPadding | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 11 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○_INTERNALc6865387::setupForceOutputs(ForceHelperBuffers*, gmx::ArrayRefWithPadding | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0.02 | 0 | 0 | 0.00 | 0 | 0 | 19 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○do_force(_IO_FILE*, t_commrec const*, gmx_multisim_t const*, t_inputrec const&, gmx::Awh*, gmx_enfrot*, gmx::ImdSession*, pull_t*, long, t_nrnb*, gmx_wallcycle*, gmx_localtop_t const*, float const (*) [3], gmx::ArrayRefWithPadding | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.03 | 0 | 0 | 0.00 | 0 | 0 | 26 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○mdoutf_get_tng_compressed_lambda_output_interval(gmx_mdoutf*) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 2 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::Lincs::~Lincs() | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 6 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○reset_dvdl_enerdata(gmx_enerdata_t*) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 7 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○float gmx::GammaDistribution | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 3 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::ThreeFry2x64General<20u, 64u>::restart(unsigned long, unsigned long) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 2 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○vrescale_resamplekin(float, float, float, float, long, long) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 5 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○update_tcouple(long, t_inputrec const*, t_state*, gmx_ekindata_t*, t_extmass const*, int, gmx::ArrayRef | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 11 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○_INTERNALb7c28a0f::gmx::constr_recur(_INTERNALb7c28a0f::gmx::ListOfLists | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 26 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○unsigned long std::allocator_traits | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 1 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::PaddedVector | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 7 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::ImdSession::updateEnergyRecordAndSendPositionsAndEnergies(bool, long, bool) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 5 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○InteractionDefinitions::clear() | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 27 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○walltime_accounting_get_time_since_start(gmx_walltime_accounting*) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 3 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○numPbcDimensions(PbcType) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 12 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○check_box(PbcType, float const (*) [3]) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 3 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○mk_mshift(_IO_FILE*, t_graph*, PbcType, float const (*) [3], float const (*) [3]) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 31 | |
○void _INTERNALd056bbd4::gmx::(anonymous namespace)::reduceThreadForceBuffers | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 4 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx_within_tol(double, double, double) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 1 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::invertBoxMatrix(float const (*) [3], float (*) [3]) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 7 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○_ZN17_INTERNAL83cfe19115dd_set_atominfoEN3gmx8ArrayRefIKiEEiiP10t_forcerec..1 | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 21 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○L__Z25dd_make_local_constraintsP12gmx_domdec_tiRK10gmx_mtop_tN3gmx8ArrayRefIKlEEPNS4_11ConstraintsEiNS5_I15InteractionListEE_458__par_region0_2_19 | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 16 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○dd_clear_local_constraint_indices(gmx_domdec_t*) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 18 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○getutmp | libc.so.6 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 6 | IO (%): 100.00 |
○dd_pme_maxshift_y(gmx_domdec_t const&) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 6 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○_INTERNALd01bd45b::getAtomGroupDistribution(gmx::MDLogger const&, gmx_mtop_t const&, float const (*) [3], gmx_ddbox_t const&, float (*) [3], gmx_domdec_t*) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 2 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__kmp_push_num_threads | libiomp5.so | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 11 | OMP (%): 100.00 |
○gmx::ArrayRef | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 5 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○nonbonded_verlet_t::~nonbonded_verlet_t() | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 2 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○nonbonded_verlet_t::atomdata_add_nbat_f_to_f(gmx::AtomLocality, gmx::ArrayRef | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 12 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○L__ZN5Nbnxm4Grid14setCellIndicesEiiPNS_11GridSetDataEN3gmx8ArrayRefINS_8GridWorkEEENS3_5RangeIiEENS4_IKlEENS4_IKNS3_11BasicVectorIfEEEEiP16nbnxn_atomdata_t_1481__par_region0_2_72 | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 15 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○void std::allocator_traits | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 19 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○void std::allocator_traits | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 14 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○nbnxn_atomdata_add_nbat_fshift_to_fshift(nbnxn_atomdata_t const&, gmx::ArrayRef | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.03 | 0 | 0 | 0.00 | 0 | 0 | 31 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○nbnxn_atomdata_copy_shiftvec(bool, gmx::ArrayRef | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.02 | 0 | 0 | 0.00 | 0 | 0 | 13 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○std::vector | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 20 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__kmpc_end_single | libiomp5.so | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 8 | OMP (%): 100.00 |
○__kmpc_ok_to_fork | libiomp5.so | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0 | 6 | OMP (%): 100.00 |
○__clock_gettime | libc.so.6 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.02 | 0 | 0 | 0.00 | 0 | 0 | 12 | System (%): 100.00 |
○__default_morecore | libc.so.6 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 25 | System (%): 100.00 |
○timer_settime | libc.so.6 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 7 | System (%): 100.00 |
○_IO_file_xsputn | libc.so.6 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 19 | IO (%): 100.00 |
○gmx::InMemoryDeserializer::doInt(int*) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 27 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::InMemorySerializer::doInt(int*) | libgromacs_mpi.so.7 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 26 | /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00 |
○mkl_dft_avx512_ippsFFTFwd_RToPerm_32f@plt | libmkl_avx512.so.2 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 16 | Math (%): 100.00 |
○_IO_fwrite | libc.so.6 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.02 | 0.02 | 0.03 | 0 | 0 | 0.00 | 0 | 0 | 31 | IO (%): 100.00 |
○__strtof128_nan | libc.so.6 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 14 | String (%): 100.00 |
○_dl_audit_symbind_alt | ld-linux-x86-64.so.2 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 7 | System (%): 100.00 |
○_dl_mcount | ld-linux-x86-64.so.2 | 0 | 0 | 0.00 | 0 | 0 | 0 | 0 | 0.00 | 0 | 0.01 | 0 | 0 | 0.00 | 0 | 0 | 23 | System (%): 100.00 |