options

▼Colums Filter

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
NameModuleCoverage (%)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 CountCategories
►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.729.0227.5928.9929.0329.2515.7915.3915.7415.618.5815.5615.4715.5715.5815.6531/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 982+libgromacs_mpi.so.70.670.630.36
○loop 987libgromacs_mpi.so.719.0612.7810.22
○loop 985libgromacs_mpi.so.77.019.393.76
○loop 988libgromacs_mpi.so.70.920.670.49
○loop 986libgromacs_mpi.so.70.70.880.37
○loop 983libgromacs_mpi.so.70.570.510.31
○loop 984libgromacs_mpi.so.70.080.110.04
○bool _INTERNAL8eaaea23::__kmp_wait_template, true, false, true>(kmp_info*, kmp_flag_64*, void*)libiomp5.so24.1823.7824.2324.1127.5616.7216.3816.9716.8719.912.9612.6713.0212.9415.5231OMP (%): 100.00
►fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)+libgromacs_mpi.so.75.024.684.924.935.083.072.832.982.983.132.692.562.642.642.7431/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 21794+libgromacs_mpi.so.70.010.020.01
►loop 21799+libgromacs_mpi.so.7000
►loop 21800+libgromacs_mpi.so.7000
►loop 21802+libgromacs_mpi.so.7000
○loop 21801libgromacs_mpi.so.7000
○loop 21818libgromacs_mpi.so.7000
○loop 21803libgromacs_mpi.so.7000
►loop 21819+libgromacs_mpi.so.7000
►loop 21820+libgromacs_mpi.so.7000
►loop 21821+libgromacs_mpi.so.7000
○loop 21822libgromacs_mpi.so.7000
○loop 21823libgromacs_mpi.so.7000
►loop 21804+libgromacs_mpi.so.700.010
►loop 21805+libgromacs_mpi.so.70.010.040.01
►loop 21806+libgromacs_mpi.so.70.130.140.07
○loop 21809libgromacs_mpi.so.74.162.532.23
○loop 21808libgromacs_mpi.so.70.040.090.02
○loop 21807libgromacs_mpi.so.7000
►loop 21824+libgromacs_mpi.so.7000
►loop 21825+libgromacs_mpi.so.7000
►loop 21827+libgromacs_mpi.so.7000
○loop 21826libgromacs_mpi.so.7000
○loop 21810libgromacs_mpi.so.7000
►loop 21811+libgromacs_mpi.so.700.010
►loop 21812+libgromacs_mpi.so.700.010
►loop 21813+libgromacs_mpi.so.70.070.080.04
○loop 21816libgromacs_mpi.so.70.570.390.31
○loop 21815libgromacs_mpi.so.700.010
○loop 21817libgromacs_mpi.so.700.010
○loop 21814libgromacs_mpi.so.7000
►loop 21828+libgromacs_mpi.so.7000
►loop 21829+libgromacs_mpi.so.7000
►loop 21831+libgromacs_mpi.so.7000
○loop 21830libgromacs_mpi.so.7000
►loop 21795+libgromacs_mpi.so.7000
►loop 21796+libgromacs_mpi.so.7000
►loop 21798+libgromacs_mpi.so.7000
○loop 21797libgromacs_mpi.so.7000
►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.74.334.134.354.364.432.532.382.502.52.852.322.32.342.342.3731/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 989+libgromacs_mpi.so.70.10.130.05
○loop 994libgromacs_mpi.so.72.822.061.51
○loop 992libgromacs_mpi.so.71.091.480.59
○loop 995libgromacs_mpi.so.70.120.110.07
○loop 993libgromacs_mpi.so.70.110.170.06
○loop 990libgromacs_mpi.so.70.080.090.04
○loop 991libgromacs_mpi.so.70.010.020.01
►gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)+libgromacs_mpi.so.73.863.73.863.853.942.622.512.612.612.812.072.052.072.072.1131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 21402+libgromacs_mpi.so.71.961.411.05
○loop 21401libgromacs_mpi.so.71.91.291.02
►loop 21405+libgromacs_mpi.so.7000
○loop 21403libgromacs_mpi.so.7000
○loop 21404libgromacs_mpi.so.7000
►loop 21406+libgromacs_mpi.so.7000
►loop 21410+libgromacs_mpi.so.7000
○loop 21412libgromacs_mpi.so.7000
○loop 21411libgromacs_mpi.so.7000
○loop 21409libgromacs_mpi.so.7000
○loop 21408libgromacs_mpi.so.7000
○loop 21407libgromacs_mpi.so.7000
►_INTERNALae0e43be::reduce_threadgrid_overlap(gmx_pme_t const*, pmegrids_t const*, int, float*, float*, float*, int)+libgromacs_mpi.so.72.892.632.842.852.911.721.641.711.691.91.551.481.531.531.5631/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 21731+libgromacs_mpi.so.7000
►loop 21732+libgromacs_mpi.so.7000
►loop 21733+libgromacs_mpi.so.70.010.020
►loop 21740+libgromacs_mpi.so.70.10.090.05
►loop 21741+libgromacs_mpi.so.71.050.690.57
○loop 21742libgromacs_mpi.so.71.731.110.93
○loop 21744libgromacs_mpi.so.7000
○loop 21743libgromacs_mpi.so.7000
►loop 21734+libgromacs_mpi.so.7000
►loop 21735+libgromacs_mpi.so.7000
○loop 21738libgromacs_mpi.so.7000
○loop 21736libgromacs_mpi.so.7000
○loop 21739libgromacs_mpi.so.7000
○loop 21737libgromacs_mpi.so.7000
►_INTERNAL1bba7552::gmx::lincs_matrix_expand(_INTERNAL1bba7552::gmx::Lincs const&, _INTERNAL1bba7552::gmx::Task const&, _INTERNAL1bba7552::gmx::ArrayRef, _INTERNAL1bba7552::gmx::ArrayRef, _INTERNAL1bba7552::gmx::ArrayRef, _INTERNA...+libgromacs_mpi.so.72.362.262.362.372.391.661.541.651.651.781.271.251.271.271.2931/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 18652+libgromacs_mpi.so.700.010
►loop 18653+libgromacs_mpi.so.71.450.950.78
○loop 18654libgromacs_mpi.so.70.90.830.48
○loop 18656libgromacs_mpi.so.7000
○loop 18655libgromacs_mpi.so.7000
►loop 18647+libgromacs_mpi.so.7000
►loop 18648+libgromacs_mpi.so.7000
○loop 18650libgromacs_mpi.so.7000
○loop 18649libgromacs_mpi.so.7000
○loop 18651libgromacs_mpi.so.7000
►void _INTERNALecfc3c36::clearBufferFlagged<3>(nbnxn_atomdata_t const&, int, gmx::ArrayRef)+libgromacs_mpi.so.71.761.691.771.771.861.261.191.261.261.350.950.910.950.95131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 2125+libgromacs_mpi.so.70.350.250.19
○loop 2124libgromacs_mpi.so.71.421.070.76
►_INTERNALae0e43be::make_bsplines(float**, float**, int, float (*) [3], int, int const*, float const*, bool)+libgromacs_mpi.so.71.661.581.641.651.681.161.081.161.161.250.890.860.880.890.931/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 21746+libgromacs_mpi.so.71.651.160.89
►loop 21745+libgromacs_mpi.so.7000
○loop 21749libgromacs_mpi.so.7000
○loop 21748libgromacs_mpi.so.7000
○loop 21747libgromacs_mpi.so.7000
►loop 21750+libgromacs_mpi.so.7000
○loop 21751libgromacs_mpi.so.7000
►_INTERNALae0e43be::spread_coefficients_bsplines_thread(pmegrid_t const*, PmeAtomComm const*, splinedata_t*, pme_spline_work*)+libgromacs_mpi.so.71.631.571.631.641.671.131.081.141.131.220.870.860.880.880.931/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 21753+libgromacs_mpi.so.71.621.120.87
►loop 21755+libgromacs_mpi.so.7000
►loop 21754+libgromacs_mpi.so.7000
○loop 21757libgromacs_mpi.so.7000
○loop 21758libgromacs_mpi.so.7000
○loop 21756libgromacs_mpi.so.7000
○loop 21752libgromacs_mpi.so.7000
○loop 21759libgromacs_mpi.so.7000
►L__ZN17_INTERNALa817b2b737nbnxn_atomdata_add_nbat_f_to_f_reduceEP16nbnxn_atomdata_ti_1188__par_region0_2_51+libgromacs_mpi.so.71.321.271.391.381.530.920.890.980.971.120.710.690.750.740.8331/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 1590+libgromacs_mpi.so.7000
►loop 1591+libgromacs_mpi.so.70.040.050.02
○loop 1597libgromacs_mpi.so.70.50.380.27
►loop 1593+libgromacs_mpi.so.70.080.120.04
○loop 1594libgromacs_mpi.so.70.580.540.31
►loop 1595+libgromacs_mpi.so.70.010.040
○loop 1596libgromacs_mpi.so.70.110.590.06
○loop 1592libgromacs_mpi.so.7000
○mkl_dft_avx512_owns_cRealRecombine_32flibmkl_avx512.so.21.261.21.271.261.40.750.750.820.810.950.680.640.680.680.7531Math (%): 100.00
►L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_910__par_region0_2_2+libgromacs_mpi.so.71.11.021.081.091.120.710.640.720.710.840.590.560.580.580.631/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 21717libgromacs_mpi.so.70.970.640.52
○loop 21718libgromacs_mpi.so.700.010
○_ZN17_INTERNAL8eaaea2326__kmp_hyper_barrier_gatherE12barrier_typeP8kmp_infoiiPFvPvS3_ES3_..0libiomp5.so1.0411.051.041.295.85.325.945.849.080.560.530.560.560.7331OMP (%): 100.00
►_INTERNALae0e43be::calc_interpolation_idx(gmx_pme_t const*, PmeAtomComm*, int, int, int, int)+libgromacs_mpi.so.70.960.870.930.930.960.620.580.650.630.770.510.480.500.50.5131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 21719libgromacs_mpi.so.70.690.480.37
○loop 21721libgromacs_mpi.so.70.260.210.14
○loop 21729libgromacs_mpi.so.7000
○loop 21728libgromacs_mpi.so.7000
○loop 21727libgromacs_mpi.so.7000
○loop 21722libgromacs_mpi.so.7000
○loop 21720libgromacs_mpi.so.7000
○loop 21725libgromacs_mpi.so.7000
○loop 21730libgromacs_mpi.so.7000
○loop 21723libgromacs_mpi.so.7000
○loop 21726libgromacs_mpi.so.7000
○loop 21724libgromacs_mpi.so.7000
►_INTERNAL1bba7552::gmx::lincs_update_atoms_ind(_INTERNAL1bba7552::gmx::ArrayRef, _INTERNAL1bba7552::gmx::ArrayRef<_INTERNAL1bba7552::gmx::AtomPair const>, float, _INTERNAL1bba7552::gmx::ArrayRef, _INTERNAL1bba7552::gmx::ArrayRef<_IN...+libgromacs_mpi.so.70.920.910.940.950.970.830.720.860.861.010.490.490.510.510.5231/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 18661libgromacs_mpi.so.70.920.830.49
○loop 18660libgromacs_mpi.so.7000
►__intel_skx_avx512_memset+gmx_mpi0.750.70.740.740.780.620.550.620.620.720.40.380.400.40.4231Memory (%): 100.00
○loop 128gmx_mpi0.060.130.03
►_INTERNALb293ce76::makeClusterListSimd2xnn(Nbnxm::Grid const&, NbnxnPairlistCpu*, int, int, int, bool, float const*, float, float, int*)+libgromacs_mpi.so.70.630.580.630.630.650.390.380.400.40.460.340.320.340.340.3531/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 2693libgromacs_mpi.so.70.380.270.2
○loop 2692libgromacs_mpi.so.70.10.080.06
○loop 2691libgromacs_mpi.so.70.050.050.03
○mkl_dft_avx512_mg_rowbatch_plain_bwd_096_slibmkl_avx512.so.20.620.590.680.670.90.430.390.470.450.750.330.330.360.360.4931Math (%): 100.00
○mkl_dft_avx512_mg_rowbatch_plain_fwd_096_slibmkl_avx512.so.20.580.520.620.590.840.440.340.450.440.630.310.280.330.310.4531Math (%): 100.00
○mkl_dft_avx512_ipps_cFFTfwd_64_32fclibmkl_avx512.so.20.570.530.570.570.60.390.350.400.390.470.310.280.300.30.3231Math (%): 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.70.560.540.560.560.580.530.410.480.470.550.30.290.300.30.3131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►nbnxn_kernel_prune_2xnn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef const>, float)+libgromacs_mpi.so.70.540.510.540.540.560.360.330.370.370.440.290.280.290.290.331/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 1496+libgromacs_mpi.so.70.020.020.01
○loop 1497libgromacs_mpi.so.70.520.360.28
►void _INTERNALb293ce76::nbnxn_make_pairlist_part(Nbnxm::GridSet const&, Nbnxm::Grid const&, Nbnxm::Grid const&, PairsearchWork*, nbnxn_atomdata_t const*, gmx::ListOfLists const&, float, PairlistType, int, bool, int, bool, float, int,...+libgromacs_mpi.so.70.520.490.520.520.540.340.320.350.340.380.280.270.280.280.2931/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 2674+libgromacs_mpi.so.7000
►loop 2666+libgromacs_mpi.so.7000
►loop 2665+libgromacs_mpi.so.700.010
►loop 2667+libgromacs_mpi.so.70.010.010
►loop 2668+libgromacs_mpi.so.70.010.020
►loop 2669+libgromacs_mpi.so.70.010.020.01
►loop 2670+libgromacs_mpi.so.70.020.020.01
►loop 2671+libgromacs_mpi.so.70.240.180.13
○loop 2672libgromacs_mpi.so.70.20.140.11
○loop 2673libgromacs_mpi.so.70.030.050.02
○loop 2664libgromacs_mpi.so.7000
○loop 2663libgromacs_mpi.so.7000
○loop 2675libgromacs_mpi.so.7000
○loop 2676libgromacs_mpi.so.7000
►std::enable_if::value||std::is_same::value, void>::type _INTERNAL568e5334::updateMDLeapfrogSimpleSimd<(StoreUpdatedVelocities)0, float [3]>(int, int, float, gmx::ArrayRef, gmx::Arr...+libgromacs_mpi.so.70.510.430.490.490.610.370.310.350.340.440.270.240.260.260.3331/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 19336libgromacs_mpi.so.70.510.370.27
►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.70.510.480.500.510.530.350.330.360.360.420.270.260.270.270.2931/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 5126+libgromacs_mpi.so.70.010.020.01
○loop 5127libgromacs_mpi.so.70.140.10.08
►loop 5129+libgromacs_mpi.so.70.140.110.07
○loop 5130libgromacs_mpi.so.70.20.180.11
○loop 5128libgromacs_mpi.so.70.020.050.01
►__intel_skx_avx512_memcpy+gmx_mpi0.480.450.490.490.520.690.610.790.790.980.260.250.260.260.2831Memory (%): 100.00
○loop 127gmx_mpi000
○loop 126gmx_mpi00.050
►L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_1010__par_region4_2_4+libgromacs_mpi.so.70.450.430.450.450.470.320.290.320.320.380.240.230.240.240.2531/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 21710+libgromacs_mpi.so.7000
►loop 21714+libgromacs_mpi.so.70.080.120.04
○loop 21715libgromacs_mpi.so.70.190.150.1
►loop 21711+libgromacs_mpi.so.70.070.070.04
○loop 21713libgromacs_mpi.so.70.070.060.04
○loop 21712libgromacs_mpi.so.70.040.050.02
○loop 21716libgromacs_mpi.so.7000
○kmp_flag_native::notdone_check()libiomp5.so0.430.410.430.430.470.420.330.390.390.450.230.220.230.230.2631OMP (%): 100.00
○_INTERNAL8eaaea23::__kmp_hyper_barrier_gather(barrier_type, kmp_info*, int, int, void (*)(void*, void*), void*)libiomp5.so0.380.340.380.380.422.151.782.072.042.440.210.190.200.20.2331OMP (%): 100.00
►_INTERNAL1bba7552::gmx::do_lincs(_INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector const>, _INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector >, float const (*) [3], t_pbc*, _INTERNAL...+libgromacs_mpi.so.70.350.330.350.350.370.280.250.290.280.360.190.180.190.190.231/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 18645+libgromacs_mpi.so.70.020.030.01
○loop 18646libgromacs_mpi.so.70.260.210.14
○loop 18637libgromacs_mpi.so.70.010.020
○loop 18644libgromacs_mpi.so.70.010.040.01
○loop 18638libgromacs_mpi.so.7000
►loop 18642+libgromacs_mpi.so.700.010
○loop 18643libgromacs_mpi.so.70.030.040.02
○loop 18639libgromacs_mpi.so.7000
○loop 18641libgromacs_mpi.so.700.010
○loop 18640libgromacs_mpi.so.7000
►L__ZN3gmx6Update4Impl13finish_updateERK10t_inputrecbiNS_8ArrayRefIKtEEP7t_stateP13gmx_wallcycleb_1637__par_region0_2_148+libgromacs_mpi.so.70.330.320.340.330.350.260.220.250.250.290.180.170.180.180.1931/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 19339libgromacs_mpi.so.70.330.250.18
►solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)+libgromacs_mpi.so.70.330.310.360.321.620.230.20.260.231.040.180.160.200.170.8831/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 21637+libgromacs_mpi.so.70.110.10.06
○loop 21659libgromacs_mpi.so.70.050.040.03
○loop 21660libgromacs_mpi.so.70.040.040.02
○loop 21643libgromacs_mpi.so.70.040.040.02
○loop 21639libgromacs_mpi.so.70.020.040.01
○loop 21647libgromacs_mpi.so.70.020.020.01
○loop 21650libgromacs_mpi.so.70.020.020.01
○loop 21652libgromacs_mpi.so.70.010.010
○loop 21644libgromacs_mpi.so.70.010.020.01
○loop 21648libgromacs_mpi.so.7000
○loop 21642libgromacs_mpi.so.7000
○loop 21645libgromacs_mpi.so.7000
○loop 21654libgromacs_mpi.so.7000
○loop 21655libgromacs_mpi.so.700.010
○loop 21646libgromacs_mpi.so.7000
○loop 21651libgromacs_mpi.so.7000
○loop 21657libgromacs_mpi.so.700.010
○loop 21658libgromacs_mpi.so.7000
○loop 21649libgromacs_mpi.so.7000
○loop 21656libgromacs_mpi.so.7000
○loop 21641libgromacs_mpi.so.7000
○loop 21640libgromacs_mpi.so.7000
○loop 21638libgromacs_mpi.so.7000
○loop 21653libgromacs_mpi.so.7000
►_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.70.330.30.330.330.340.280.230.280.280.340.170.170.180.180.1831/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 18662libgromacs_mpi.so.70.320.280.17
►copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)+libgromacs_mpi.so.70.320.280.310.310.340.420.340.400.40.510.170.150.170.160.1831/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 1580libgromacs_mpi.so.70.310.410.16
○loop 1579libgromacs_mpi.so.70.010.030.01
○loop 1575libgromacs_mpi.so.7000
○loop 1570libgromacs_mpi.so.7000
○loop 1574libgromacs_mpi.so.7000
○loop 1572libgromacs_mpi.so.7000
○loop 1577libgromacs_mpi.so.7000
○loop 1581libgromacs_mpi.so.7000
○loop 1573libgromacs_mpi.so.7000
○loop 1583libgromacs_mpi.so.7000
○loop 1582libgromacs_mpi.so.7000
○loop 1571libgromacs_mpi.so.7000
○loop 1576libgromacs_mpi.so.7000
○loop 1578libgromacs_mpi.so.7000
►void _INTERNAL5738f0d5::do_pairs_simple(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float const*, gmx::ArrayRef, float)+libgromacs_mpi.so.70.310.290.300.30.320.230.20.230.230.260.160.150.160.160.1731/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 21183libgromacs_mpi.so.70.310.230.16
○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.70.280.270.280.280.310.30.230.300.290.350.150.140.150.150.1731/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.70.270.250.270.270.280.190.170.200.20.250.140.130.140.140.1531/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.70.260.240.250.250.270.270.210.240.240.290.140.130.130.130.1531/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 5554libgromacs_mpi.so.7000
○loop 5555libgromacs_mpi.so.7000
○void _INTERNAL4f3e572d::gmx::__regcall3__transposeScatterStoreU<3>(float*, int const*, _INTERNAL4f3e572d::gmx::SimdFloat, _INTERNAL4f3e572d::gmx::SimdFloat, _INTERNAL4f3e572d::gmx::SimdFloat)libgromacs_mpi.so.70.250.250.260.260.270.190.180.210.20.250.140.130.140.140.1531/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.70.240.210.230.230.240.220.170.210.20.270.130.110.120.120.1331/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 20843libgromacs_mpi.so.70.240.220.13
○_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.70.230.220.230.230.250.180.160.180.190.220.120.120.130.130.1331/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○mkl_dft_avx512_ipps_cFFTinv_64_32fclibmkl_avx512.so.20.220.20.210.210.230.150.140.160.160.190.120.110.110.110.1231Math (%): 100.00
○void _INTERNALc075c6e4::gmx::__regcall3__transposeScatterIncrU<4>(float*, int const*, _INTERNALc075c6e4::gmx::SimdFloat, _INTERNALc075c6e4::gmx::SimdFloat, _INTERNALc075c6e4::gmx::SimdFloat)libgromacs_mpi.so.70.20.170.190.190.20.160.130.150.150.170.110.10.100.10.1131/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.70.20.180.190.190.210.150.140.160.150.210.110.10.100.10.1131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 1588libgromacs_mpi.so.70.20.150.11
○loop 1587libgromacs_mpi.so.7000
○loop 1589libgromacs_mpi.so.7000
○loop 1586libgromacs_mpi.so.7000
►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, gmx::ArrayRef, gmx::ArrayRef,...+libgromacs_mpi.so.70.170.160.170.170.180.170.110.140.140.170.090.080.090.090.131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 21179libgromacs_mpi.so.70.170.170.09
○_INTERNALf8156861::gmx::SimdFloat _INTERNALf8156861::gmx::__regcall3__exp<(MathOptimization)0>(_INTERNALf8156861::gmx::SimdFloat)libgromacs_mpi.so.70.170.150.160.160.180.140.110.150.140.240.090.080.090.090.0931/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.70.160.160.160.160.170.140.120.140.140.170.090.080.090.090.0931/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 20856libgromacs_mpi.so.70.160.140.09
►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.70.160.150.170.170.180.140.120.150.150.170.090.080.090.090.131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 20945+libgromacs_mpi.so.70.150.130.08
○loop 20946libgromacs_mpi.so.70.010.020.01
○_INTERNAL8eaaea23::__kmp_hyper_barrier_release(barrier_type, kmp_info*, int, int, int, void*)libiomp5.so0.160.140.160.160.170.560.420.480.470.580.090.080.080.080.0931OMP (%): 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.70.150.130.140.150.150.160.130.160.160.190.080.070.080.080.0831/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 18657libgromacs_mpi.so.70.150.160.08
○DftiComputeBackwardlibmkl_intel_lp64.so.20.140.130.140.140.150.140.10.130.130.150.080.070.080.080.0831Math (%): 100.00
►unwrap_periodic_pmegrid(gmx_pme_t*, float*)+libgromacs_mpi.so.70.120.120.130.130.140.110.10.120.110.150.070.060.070.070.0731/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 21467+libgromacs_mpi.so.7000
►loop 21468+libgromacs_mpi.so.7000
○loop 21470libgromacs_mpi.so.700.010
○loop 21469libgromacs_mpi.so.7000
►loop 21459+libgromacs_mpi.so.7000
►loop 21460+libgromacs_mpi.so.7000
○loop 21462libgromacs_mpi.so.7000
○loop 21461libgromacs_mpi.so.7000
►loop 21463+libgromacs_mpi.so.700.010
►loop 21464+libgromacs_mpi.so.70.050.050.02
○loop 21465libgromacs_mpi.so.70.070.090.04
○loop 21466libgromacs_mpi.so.7000
○DftiComputeForwardlibmkl_intel_lp64.so.20.120.10.120.120.160.10.090.120.110.20.060.050.070.060.0931Math (%): 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.70.120.110.120.120.140.090.090.110.110.130.060.060.070.070.0731/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 19100libgromacs_mpi.so.70.120.090.06
○__libm_atan2f_l9libgromacs_mpi.so.70.110.10.110.110.120.10.10.120.120.150.060.050.060.060.0631/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.70.110.10.110.110.110.090.080.090.090.120.060.050.060.060.0631/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 18773+libgromacs_mpi.so.7000
○loop 18774libgromacs_mpi.so.70.110.080.06
○loop 18775libgromacs_mpi.so.7000
○mkl_dft_avx512_owns_cCcsRecombine_32flibmkl_avx512.so.20.10.090.100.10.10.090.070.090.090.120.050.050.050.050.0631Math (%): 100.00
►_INTERNALb293ce76::setExclusionsForIEntry(Nbnxm::GridSet const&, NbnxnPairlistCpu*, bool, int, nbnxn_ci_t const&, gmx::ListOfLists const&)+libgromacs_mpi.so.70.10.080.090.090.110.090.070.090.090.120.050.050.050.050.0631/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 2702+libgromacs_mpi.so.70.020.020.01
►loop 2703+libgromacs_mpi.so.70.050.050.03
○loop 2704libgromacs_mpi.so.70.020.040.01
○loop 2705libgromacs_mpi.so.7000
►L__ZN17_INTERNALc686538717setupForceOutputsEP18ForceHelperBuffersN3gmx19ArrayRefWithPaddingINS2_11BasicVectorIfEEEERKNS2_22DomainLifetimeWorkloadERKNS2_12StepWorkloadEbP13gmx_wallcycle_473__par_region0_2_126+libgromacs_mpi.so.70.090.090.100.10.110.090.070.090.090.140.050.050.050.050.0631/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 19165libgromacs_mpi.so.70.090.090.05
○mkl_dft_avx512_ippsFFTFwd_RToPerm_32flibmkl_avx512.so.20.090.080.090.090.10.110.110.130.120.170.050.040.050.050.0531Math (%): 100.00
○__libm_sse2_sincosflibgromacs_mpi.so.70.090.090.100.10.110.090.080.090.090.130.050.050.050.050.0631/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.70.090.080.090.090.10.070.070.090.090.120.050.040.050.050.0531/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 20932libgromacs_mpi.so.70.090.070.05
○dih_angle(float const*, float const*, float const*, float const*, t_pbc const*, float*, float*, float*, float*, float*, int*, int*, int*)libgromacs_mpi.so.70.080.070.080.080.090.070.070.090.090.110.040.040.040.040.0531/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, gmx::ArrayRef > const>, int, int, InteractionList*, std::vector >*)+libgromacs_mpi.so.70.080.070.070.070.080.080.060.080.080.120.040.030.040.040.0431/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 3697+libgromacs_mpi.so.70.060.070.03
►loop 3698+libgromacs_mpi.so.70.010.020
○loop 3709libgromacs_mpi.so.7000
►loop 3703+libgromacs_mpi.so.70.010.020
○loop 3699libgromacs_mpi.so.7000
○loop 3700libgromacs_mpi.so.7000
►loop 3707+libgromacs_mpi.so.7000
○loop 3708libgromacs_mpi.so.7000
○loop 3701libgromacs_mpi.so.7000
○loop 3705libgromacs_mpi.so.7000
○loop 3710libgromacs_mpi.so.7000
○loop 3702libgromacs_mpi.so.7000
○loop 3706libgromacs_mpi.so.7000
○loop 3704libgromacs_mpi.so.7000
►_INTERNAL568e5334::do_update_md(int, int, float, long, float const (*) [3], float (*) [3], float (*) [3], float const (*) [3], TemperatureCoupling, PressureCoupling, int, int, gmx::ArrayRef, bool, gmx::ArrayRef, ...+libgromacs_mpi.so.70.070.060.070.070.10.070.060.070.070.10.040.030.040.040.0531/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 19308libgromacs_mpi.so.70.070.070.04
○loop 19309libgromacs_mpi.so.7000
○loop 19311libgromacs_mpi.so.7000
○loop 19310libgromacs_mpi.so.7000
►_INTERNALb293ce76::closeIEntry(NbnxnPairlistCpu*, int, bool, float, int, int)+libgromacs_mpi.so.70.070.070.070.070.080.070.060.070.070.10.040.040.040.040.0431/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 2681libgromacs_mpi.so.70.020.020.01
○loop 2680libgromacs_mpi.so.70.020.030.01
○loop 2682libgromacs_mpi.so.70.010.020.01
○loop 2685libgromacs_mpi.so.700.010
○loop 2683libgromacs_mpi.so.7000
○loop 2686libgromacs_mpi.so.7000
○loop 2684libgromacs_mpi.so.7000
○gmx_fft_1d(gmx_fft*, gmx_fft_direction, void*, void*)libgromacs_mpi.so.70.070.070.080.080.10.060.060.090.080.120.040.040.050.050.0631/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.70.060.060.070.070.070.060.060.070.070.110.030.030.040.040.0431/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○_INTERNALc075c6e4::gmx::__regcall3__atan(_INTERNALc075c6e4::gmx::SimdFloat)libgromacs_mpi.so.70.060.060.070.070.070.060.060.070.070.090.030.030.040.040.0431/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.70.060.060.060.060.070.070.050.070.070.090.030.030.030.030.0431/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.70.060.050.060.060.060.050.050.060.060.070.030.030.030.030.0331/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►gmx::ThreadForceBuffer::clearForcesAndEnergies()+libgromacs_mpi.so.70.060.050.050.050.060.080.060.080.070.110.030.030.030.030.0331/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 5253+libgromacs_mpi.so.70.040.070.02
○loop 5254libgromacs_mpi.so.7000
○loop 5255libgromacs_mpi.so.7000
○loop 5252libgromacs_mpi.so.70.010.020
○loop 5250libgromacs_mpi.so.7000
►loop 5246+libgromacs_mpi.so.700.010
○loop 5249libgromacs_mpi.so.7000
○loop 5248libgromacs_mpi.so.7000
○loop 5251libgromacs_mpi.so.7000
○loop 5247libgromacs_mpi.so.7000
►_INTERNALb293ce76::setBufferFlags(NbnxnPairlistCpu const&, int, int, std::array*, int)+libgromacs_mpi.so.70.050.050.050.050.060.060.050.060.050.070.030.030.030.030.0331/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 2701libgromacs_mpi.so.70.010.020.01
○void _INTERNALc075c6e4::gmx::__regcall3__transposeScatterDecrU<4>(float*, int const*, _INTERNALc075c6e4::gmx::SimdFloat, _INTERNALc075c6e4::gmx::SimdFloat, _INTERNALc075c6e4::gmx::SimdFloat)libgromacs_mpi.so.70.050.050.050.050.060.050.050.060.060.090.030.030.030.030.0331/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.70.050.050.060.060.060.050.050.060.060.080.030.030.030.030.0331/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►void _INTERNAL80d859f8::make_exclusions_zone(gmx::ArrayRef, gmx_ga2la_t const&, gmx_domdec_zones_t const&, gmx::ArrayRef, std::vector > const&, gmx::ArrayRef, ...+libgromacs_mpi.so.70.050.040.050.050.050.050.040.050.050.070.030.020.020.020.0331/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 3913+libgromacs_mpi.so.7000
►loop 3909+libgromacs_mpi.so.7000
►loop 3908+libgromacs_mpi.so.7000
►loop 3907+libgromacs_mpi.so.70.020.020.01
►loop 3911+libgromacs_mpi.so.70.030.040.02
○loop 3912libgromacs_mpi.so.7000
►loop 3914+libgromacs_mpi.so.7000
○loop 3916libgromacs_mpi.so.7000
○loop 3915libgromacs_mpi.so.7000
○loop 3910libgromacs_mpi.so.7000
○__kmp_init_implicit_tasklibiomp5.so0.050.040.050.050.060.060.050.060.060.080.030.020.030.030.0331OMP (%): 100.00
○compute_mg_row_fwdlibmkl_avx512.so.20.050.040.050.050.050.050.040.060.050.130.030.020.030.030.0331Math (%): 100.00
○__libm_acosf_l9libgromacs_mpi.so.70.050.040.050.050.060.060.040.060.060.070.030.020.030.030.0331/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►int _INTERNAL80d859f8::assignInteractionsForAtom(AtomIndexSet const&, reverse_ilist_t const&, gmx_ga2la_t const&, gmx_domdec_zones_t const&, bool, int const*, bool, float, t_pbc const*, gmx::ArrayRef const>, InteractionDefinit...+libgromacs_mpi.so.70.050.040.050.050.050.070.060.070.070.090.020.020.030.030.0331/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 3941+libgromacs_mpi.so.70.030.050.02
►loop 3950+libgromacs_mpi.so.70.010.020
○loop 3951libgromacs_mpi.so.7000
○loop 3942libgromacs_mpi.so.700.010
○loop 3952libgromacs_mpi.so.7000
○loop 3943libgromacs_mpi.so.7000
○loop 3948libgromacs_mpi.so.7000
○loop 3946libgromacs_mpi.so.7000
○loop 3944libgromacs_mpi.so.7000
○loop 3949libgromacs_mpi.so.7000
○loop 3947libgromacs_mpi.so.7000
○loop 3945libgromacs_mpi.so.7000
○compute_mg_row_bwdlibmkl_avx512.so.20.050.040.050.050.070.110.040.080.050.460.020.020.030.030.0431Math (%): 100.00
►copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)+libgromacs_mpi.so.70.050.040.040.040.050.050.040.050.050.070.020.020.020.020.0331/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 21435+libgromacs_mpi.so.7000
○loop 21437libgromacs_mpi.so.70.040.050.02
○loop 21436libgromacs_mpi.so.7000
○Unknown functionlibgromacs_mpi.so.70.050.040.050.050.060.060.050.080.080.120.020.020.020.020.0331/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○_INTERNALc075c6e4::gmx::__regcall3__asin(_INTERNALc075c6e4::gmx::SimdFloat)libgromacs_mpi.so.70.040.030.040.040.040.050.040.050.050.080.020.020.020.020.0231/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○mkl_dft_avx512_ippsFFTInv_CCSToR_32flibmkl_avx512.so.20.040.030.040.040.040.040.040.050.050.060.020.020.020.020.0231Math (%): 100.00
►_Z8calc_viriPA3_KfS1_PA3_fbS1#omp_region_0+libgromacs_mpi.so.70.040.030.030.030.040.040.030.040.040.060.020.010.020.020.0231/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 17903+libgromacs_mpi.so.7000
○loop 17904libgromacs_mpi.so.70.040.040.02
►_INTERNAL6f8e2c7b::divide_bondeds_over_threads(bonded_threading_t*, bool, InteractionDefinitions const&)+libgromacs_mpi.so.70.040.040.040.040.041.010.941.021.011.110.020.020.020.020.0231/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 21130libgromacs_mpi.so.7000
○loop 21132libgromacs_mpi.so.7000
►loop 21122+libgromacs_mpi.so.7000
►loop 21134+libgromacs_mpi.so.7000
○loop 21135libgromacs_mpi.so.7000
○loop 21133libgromacs_mpi.so.7000
►loop 21123+libgromacs_mpi.so.7000
○loop 21124libgromacs_mpi.so.7000
►loop 21125+libgromacs_mpi.so.7000
►loop 21128+libgromacs_mpi.so.70.041.010.02
○loop 21129libgromacs_mpi.so.7000
○loop 21126libgromacs_mpi.so.7000
○loop 21127libgromacs_mpi.so.7000
○loop 21131libgromacs_mpi.so.7000
○unknown_kernel_regionkernel0.040.030.030.030.040.080.050.090.090.140.020.010.020.020.0231System (%): 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 const>, gmx::ForceOutputs*, float (*) [3], t_mdatoms const*, t_forcerec const*, gmx::VirtualSitesHandler*, gmx:...+libgromacs_mpi.so.70.040.030.030.030.040.040.030.040.040.060.020.010.020.020.0231/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 19168libgromacs_mpi.so.70.030.040.02
○loop 19169libgromacs_mpi.so.7000
○kmp_flag_native::done_check()libiomp5.so0.030.030.030.030.040.190.110.160.160.20.020.020.020.020.0231OMP (%): 100.00
○_INTERNAL4f3e572d::__regcall3__pbc_dx_aiuc(float const*, gmx::SimdFloat const*, gmx::SimdFloat const*, gmx::SimdFloat*)libgromacs_mpi.so.70.030.030.030.030.040.040.030.040.040.060.020.020.020.020.0231/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►void _INTERNALb293ce76::copySelectedListRange(nbnxn_ci_t const*, NbnxnPairlistCpu const*, NbnxnPairlistCpu*, std::array*, int, int, int)+libgromacs_mpi.so.70.030.030.030.030.030.040.030.040.040.070.020.010.020.020.0231/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 2820+libgromacs_mpi.so.7000
►loop 2821+libgromacs_mpi.so.70.030.040.02
○loop 2822libgromacs_mpi.so.7000
○loop 2823libgromacs_mpi.so.7000
○loop 2825libgromacs_mpi.so.7000
○loop 2824libgromacs_mpi.so.7000
○mkl_dft_avx512_ippsDFTFwd_RToCCS_32flibmkl_avx512.so.20.030.020.030.030.030.040.030.040.040.050.020.010.010.010.0231Math (%): 100.00
○mkl_dft_avx512_ippsDFTInv_CCSToR_32flibmkl_avx512.so.20.030.020.030.030.030.040.020.030.030.040.020.010.010.010.0231Math (%): 100.00
○compute_1d_small_fwdlibmkl_avx512.so.20.030.020.030.030.030.040.030.040.040.080.020.010.020.020.0231Math (%): 100.00
○mkl_serv_verbose_modelibmkl_core.so.20.030.020.030.030.030.040.030.040.040.050.020.010.020.020.0231Math (%): 100.00
○__kmp_barrierlibiomp5.so0.030.020.030.030.030.040.030.040.040.050.020.010.020.020.0231OMP (%): 100.00
►gmx_fft_1d_real(gmx_fft*, gmx_fft_direction, void*, void*)+libgromacs_mpi.so.70.030.030.030.030.030.040.030.040.040.060.020.010.020.020.0231/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 21867libgromacs_mpi.so.70.010.010
►_INTERNALc226143a::energyDrift(gmx::ArrayRef, gmx_ffparams_t const*, float, pot_derivatives_t const*, pot_derivatives_t const*, pot_derivatives_t const*, float, float, float, float)+libgromacs_mpi.so.70.030.030.030.030.030.750.710.780.770.830.010.010.020.020.0231/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 17833+libgromacs_mpi.so.7000
○loop 17834libgromacs_mpi.so.70.030.750.01
○compute_1d_small_bwdlibmkl_avx512.so.20.030.020.030.030.030.040.030.040.040.050.010.010.010.010.0231Math (%): 100.00
○__kmp_launch_threadlibiomp5.so0.030.030.030.030.050.030.030.050.050.060.010.010.020.020.0231OMP (%): 100.00
►gmx_fft_many_1d(gmx_fft*, gmx_fft_direction, void*, void*)+libgromacs_mpi.so.70.030.020.020.020.030.040.020.030.030.050.010.010.010.010.0231/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 21783libgromacs_mpi.so.70.020.030.01
○__kmp_join_barrier(int)libiomp5.so0.020.020.020.020.030.030.020.030.030.060.010.010.010.010.0131OMP (%): 100.00
○_INTERNALc075c6e4::gmx::SimdFloat _INTERNALc075c6e4::gmx::__regcall3__sqrt<(MathOptimization)0>(_INTERNALc075c6e4::gmx::SimdFloat)libgromacs_mpi.so.70.020.020.030.030.030.030.020.040.040.050.010.010.010.010.0231/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef, int, gmx::MDAtoms*)+libgromacs_mpi.so.70.020.020.020.020.030.030.020.030.040.040.010.010.010.010.0231/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 18782+libgromacs_mpi.so.7000
►loop 18781+libgromacs_mpi.so.7000
►loop 18780+libgromacs_mpi.so.70.020.030.01
○loop 18783libgromacs_mpi.so.7000
►L__ZN17_INTERNAL1bba75523gmx18lincs_thread_setupEPNS0_5LincsEi_1695__par_region2_2_84+libgromacs_mpi.so.70.020.020.020.020.030.020.020.030.030.040.010.010.010.010.0231/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 18683+libgromacs_mpi.so.7000
○loop 18684libgromacs_mpi.so.70.010.010
►loop 18681+libgromacs_mpi.so.7000
○loop 18682libgromacs_mpi.so.70.010.020.01
►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, t_fcdata*, t_disresdata*, t_oriresda...+libgromacs_mpi.so.70.020.010.020.020.020.060.050.070.060.090.010.010.010.010.0131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 20860libgromacs_mpi.so.70.020.060.01
►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.70.020.020.020.020.030.020.020.030.030.040.010.010.010.010.0131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 19099+libgromacs_mpi.so.70.020.020.01
○loop 19098libgromacs_mpi.so.700.010
○__kmpc_for_static_init_4ulibiomp5.so0.020.010.020.020.020.040.020.040.040.050.010.010.010.010.0131OMP (%): 100.00
○__kmp_invoke_microtasklibiomp5.so0.020.010.020.020.030.040.020.030.040.050.010.010.010.010.0231OMP (%): 100.00
►_INTERNAL5ce61142::Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef const>, float, float, int, gmx::ArrayRef)+libgromacs_mpi.so.70.020.020.020.020.020.030.030.040.040.050.010.010.010.010.0131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 1991+libgromacs_mpi.so.70.010.020
○loop 1995libgromacs_mpi.so.7000
○loop 1996libgromacs_mpi.so.7000
○loop 1994libgromacs_mpi.so.70.010.020.01
○loop 1992libgromacs_mpi.so.7000
○loop 1993libgromacs_mpi.so.7000
►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.70.020.010.020.020.020.060.040.060.060.090.010.010.010.010.0131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 20947libgromacs_mpi.so.70.020.050.01
►_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, gmx::ArrayRef, t_mdatoms const*, t_fcd...+libgromacs_mpi.so.70.020.020.020.020.020.020.020.030.030.040.010.010.010.010.0131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 21104+libgromacs_mpi.so.7000
►loop 21105+libgromacs_mpi.so.7000
○loop 21103libgromacs_mpi.so.70.010.020.01
►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.70.020.020.020.020.020.060.030.070.060.10.010.010.010.010.0131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 20857libgromacs_mpi.so.70.020.060.01
►void _INTERNALb293ce76::copySelectedListRange(nbnxn_ci_t const*, NbnxnPairlistCpu const*, NbnxnPairlistCpu*, std::array*, int, int, int)+libgromacs_mpi.so.70.020.010.020.020.020.020.020.040.040.050.010.010.010.010.0131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 2814+libgromacs_mpi.so.7000
►loop 2815+libgromacs_mpi.so.70.020.020.01
○loop 2817libgromacs_mpi.so.7000
○loop 2816libgromacs_mpi.so.7000
○loop 2818libgromacs_mpi.so.7000
○loop 2819libgromacs_mpi.so.7000
○void __kmp_dispatch_deo(int*, int*, ident*)libiomp5.so0.020.010.020.020.020.010.010.010.010.010.010.010.010.010.0131OMP (%): 100.00
►void _INTERNALb293ce76::get_cell_range<1>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*)+libgromacs_mpi.so.70.020.010.020.020.020.020.020.030.030.040.010.010.010.010.0131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 2679libgromacs_mpi.so.70.010.010
○loop 2678libgromacs_mpi.so.700.010
►void _INTERNALb293ce76::get_cell_range<0>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*)+libgromacs_mpi.so.70.020.010.010.010.020.020.010.020.020.040.010.010.010.010.0131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 2687libgromacs_mpi.so.70.010.010
○loop 2688libgromacs_mpi.so.700.010
►Nbnxm::Grid::fillCell(Nbnxm::GridSetData*, nbnxn_atomdata_t*, int, int, gmx::ArrayRef, gmx::ArrayRef const>, Nbnxm::BoundingBox*)+libgromacs_mpi.so.70.010.010.010.010.020.030.020.030.030.040.010.010.010.010.0131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 1972libgromacs_mpi.so.7000
○loop 1978libgromacs_mpi.so.700.010
○loop 1976libgromacs_mpi.so.7000
○loop 1979libgromacs_mpi.so.7000
○loop 1975libgromacs_mpi.so.7000
○loop 1974libgromacs_mpi.so.7000
○loop 1977libgromacs_mpi.so.7000
○loop 1973libgromacs_mpi.so.7000
○__kmp_invoke_task_funclibiomp5.so0.010.010.010.010.020.030.020.030.030.050.010.010.010.010.0131OMP (%): 100.00
►L__ZN17_INTERNALc686538717setupForceOutputsEP18ForceHelperBuffersN3gmx19ArrayRefWithPaddingINS2_11BasicVectorIfEEEERKNS2_22DomainLifetimeWorkloadERKNS2_12StepWorkloadEbP13gmx_wallcycle_473__par_region4_2_128+libgromacs_mpi.so.70.010.010.020.020.020.030.020.030.030.040.010.010.010.010.0131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 19163libgromacs_mpi.so.70.010.030.01
►setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&)+libgromacs_mpi.so.70.010.010.010.010.020.020.010.020.020.040.010.010.010.010.0131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 21119+libgromacs_mpi.so.7000
►loop 21118+libgromacs_mpi.so.7000
►loop 21120+libgromacs_mpi.so.7000
○loop 21121libgromacs_mpi.so.70.010.010.01
►std::vector, std::allocator > >::_M_fill_insert(__gnu_cxx::__normal_iterator*, std::vector, std::allocator+libgromacs_mpi.so.70.010.010.010.010.020.020.020.030.030.040.010.010.010.010.0131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 2874libgromacs_mpi.so.70.010.020.01
○loop 2875libgromacs_mpi.so.7000
○loop 2872libgromacs_mpi.so.7000
○loop 2873libgromacs_mpi.so.7000
►_INTERNAL051658ea::atoms_to_constraints(gmx_domdec_t*, gmx_mtop_t const&, gmx::ArrayRef, gmx::ArrayRef const>, int, InteractionList*, std::vector >*)+libgromacs_mpi.so.70.010.010.010.010.010.340.290.330.330.380.010.010.010.010.0131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 3711+libgromacs_mpi.so.70.010.170
►loop 3712+libgromacs_mpi.so.70.010.170
○loop 3713libgromacs_mpi.so.7000
○loop 3714libgromacs_mpi.so.7000
○_INTERNALb293ce76::makeClusterListWrapper(NbnxnPairlistCpu*, Nbnxm::Grid const&, int, Nbnxm::Grid const&, int, int, bool, nbnxn_atomdata_t const*, float, float, ClusterDistanceKernelType, int*)libgromacs_mpi.so.70.010.010.010.010.020.020.010.020.020.030.010.010.010.010.0131/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.70.010.010.010.010.010.020.010.020.020.030.0100.010.010.0131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 21286+libgromacs_mpi.so.7000
○loop 21288libgromacs_mpi.so.7000
○loop 21284libgromacs_mpi.so.7000
○loop 21289libgromacs_mpi.so.7000
○loop 21285libgromacs_mpi.so.7000
○loop 21287libgromacs_mpi.so.7000
○loop 21282libgromacs_mpi.so.7000
○loop 21283libgromacs_mpi.so.7000
○loop 21291libgromacs_mpi.so.7000
○loop 21290libgromacs_mpi.so.7000
►L__Z31nbnxn_atomdata_copy_x_to_nbat_xRKN5Nbnxm7GridSetEN3gmx12AtomLocalityEPA3_KfP16nbnxn_atomdata_t_993__par_region0_2_45+libgromacs_mpi.so.70.010.010.010.010.020.030.010.020.020.040.0100.010.010.0131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 1567+libgromacs_mpi.so.7000
►loop 1568+libgromacs_mpi.so.700.010
○loop 1569libgromacs_mpi.so.70.010.010
○void std::allocator_traits >::_S_destroy, float>(gmx::Allocator&, float*, ...)libgromacs_mpi.so.70.010.010.010.010.010.320.280.320.320.390.010.010.010.010.0131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►gmx::ThreadedForceBuffer::setupReduction()+libgromacs_mpi.so.70.010.010.010.010.020.310.290.350.340.470.010.010.010.010.0131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 5285+libgromacs_mpi.so.7000
○loop 5290libgromacs_mpi.so.7000
○loop 5288libgromacs_mpi.so.7000
○loop 5289libgromacs_mpi.so.7000
►loop 5281+libgromacs_mpi.so.700.010
○loop 5287libgromacs_mpi.so.70.010.270.01
○loop 5283libgromacs_mpi.so.7000
○loop 5284libgromacs_mpi.so.7000
○loop 5286libgromacs_mpi.so.700.030
○loop 5291libgromacs_mpi.so.7000
○loop 5282libgromacs_mpi.so.7000
►void std::vector >::_M_range_insert >(__gnu_cxx::__normal_iterator > >, gmx::ArrayRefIter, gmx::ArrayRefIter, std::forward_iterator_tag)+libgromacs_mpi.so.70.010.010.010.010.010.010.010.020.020.030.0100.010.010.0131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 4010libgromacs_mpi.so.7000
○loop 4013libgromacs_mpi.so.700.010
○loop 4012libgromacs_mpi.so.7000
○loop 4011libgromacs_mpi.so.7000
○loop 4014libgromacs_mpi.so.7000
►_INTERNAL1bba7552::gmx::set_lincs_matrix_task(_INTERNAL1bba7552::gmx::Lincs*, _INTERNAL1bba7552::gmx::Task*, _INTERNAL1bba7552::gmx::ArrayRef, int*, int*)+libgromacs_mpi.so.70.010.010.010.010.010.020.010.020.020.030.0100.010.010.0131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 18665+libgromacs_mpi.so.7000
►loop 18666+libgromacs_mpi.so.70.010.020.01
○loop 18667libgromacs_mpi.so.7000
►gmx_fft_many_1d_real(gmx_fft*, gmx_fft_direction, void*, void*)+libgromacs_mpi.so.70.010.010.010.010.010.020.010.020.020.040.0100.010.010.0131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 21784libgromacs_mpi.so.70.010.010
►_INTERNAL1bba7552::gmx::set_matrix_indices(_INTERNAL1bba7552::gmx::Lincs*, _INTERNAL1bba7552::gmx::Task const&, _INTERNAL1bba7552::gmx::ListOfLists const&, bool)+libgromacs_mpi.so.70.010.010.010.010.010.020.010.020.020.040.0100.010.010.0131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 18685+libgromacs_mpi.so.700.010
►loop 18688+libgromacs_mpi.so.7000
○loop 18689libgromacs_mpi.so.7000
○loop 18690libgromacs_mpi.so.7000
○loop 18696libgromacs_mpi.so.700.010
►loop 18693+libgromacs_mpi.so.7000
►loop 18692+libgromacs_mpi.so.7000
○loop 18694libgromacs_mpi.so.7000
○loop 18695libgromacs_mpi.so.7000
►loop 18686+libgromacs_mpi.so.7000
○loop 18687libgromacs_mpi.so.7000
○loop 18697libgromacs_mpi.so.700.010
○loop 18691libgromacs_mpi.so.7000
►_INTERNAL5ce61142::Nbnxm::sort_cluster_on_flag(int, int, int, gmx::ArrayRef, gmx::ArrayRef, int*)+libgromacs_mpi.so.70.010.010.010.010.010.020.010.020.020.030.0100.010.010.0131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 1980+libgromacs_mpi.so.700.010
○loop 1984libgromacs_mpi.so.7000
○loop 1982libgromacs_mpi.so.7000
○loop 1981libgromacs_mpi.so.7000
○loop 1983libgromacs_mpi.so.700.010
○__libm_erfcf_exlibgromacs_mpi.so.70.010.010.010.010.010.270.220.270.270.370.0100.010.010.0131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►globalAtomIndexToMoltypeIndices(gmx::ArrayRef, int)+libgromacs_mpi.so.70.010.010.010.010.010.010.010.020.020.020.0100.0000.0131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 4308libgromacs_mpi.so.7000
►L__ZN17_INTERNAL53d1705a16nbnxn_kernel_cpuERK11PairlistSetRKN5Nbnxm11KernelSetupEP16nbnxn_atomdata_tRK19interaction_const_tN3gmx8ArrayRefIKNSC_11BasicVectorIfEEEERKNSC_12StepWorkloadEiPfSL_P13gmx_wallcycle_265__par_region0_2_20+libgromacs_mpi.so.70.010.010.010.010.010.020.010.020.020.030.0100.010.010.0131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 2133+libgromacs_mpi.so.700.010
○loop 2145libgromacs_mpi.so.7000
○loop 2146libgromacs_mpi.so.7000
►loop 2136+libgromacs_mpi.so.7000
►loop 2135+libgromacs_mpi.so.7000
○loop 2134libgromacs_mpi.so.7000
○loop 2143libgromacs_mpi.so.7000
►loop 2138+libgromacs_mpi.so.7000
►loop 2137+libgromacs_mpi.so.7000
○loop 2139libgromacs_mpi.so.7000
○loop 2140libgromacs_mpi.so.7000
○loop 2141libgromacs_mpi.so.7000
○loop 2147libgromacs_mpi.so.7000
○loop 2144libgromacs_mpi.so.7000
○loop 2142libgromacs_mpi.so.7000
○loop 2148libgromacs_mpi.so.7000
►_INTERNAL80d859f8::atomInMolblockFromGlobalAtomnr(gmx::ArrayRef, int)+libgromacs_mpi.so.70.010.010.010.010.010.010.010.020.020.030.0100.010.010.0131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 3927libgromacs_mpi.so.700.010
○__kmpc_barrierlibiomp5.so0.010.010.010.010.010.020.010.020.020.030.0100.0000.0131OMP (%): 100.00
►gmx::ThreadForceBuffer::resizeBufferAndClearMask(int)+libgromacs_mpi.so.70.010.010.010.010.010.020.010.020.020.030.0100.0000.0131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 5233libgromacs_mpi.so.70.010.020
○loop 5234libgromacs_mpi.so.7000
○loop 5242libgromacs_mpi.so.7000
○loop 5239libgromacs_mpi.so.7000
○loop 5244libgromacs_mpi.so.7000
○loop 5236libgromacs_mpi.so.7000
○loop 5237libgromacs_mpi.so.7000
○loop 5235libgromacs_mpi.so.7000
○loop 5240libgromacs_mpi.so.7000
○loop 5238libgromacs_mpi.so.7000
○loop 5243libgromacs_mpi.so.7000
○loop 5241libgromacs_mpi.so.7000
○__kmp_enter_singlelibiomp5.so0.010.010.010.010.020.020.010.020.020.040.0100.010.010.0131OMP (%): 100.00
○__libm_exp_l9libgromacs_mpi.so.70.010.010.010.010.010.250.170.220.220.28000.0000.0131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►__intel_avx_memmove+gmx_mpi0.010.010.010.010.010.250.190.250.250.33000.010.010.0131Memory (%): 100.00
○loop 67gmx_mpi000
○loop 115gmx_mpi00.030
○loop 92gmx_mpi000
○loop 83gmx_mpi000
○loop 80gmx_mpi000
○loop 105gmx_mpi000
○loop 79gmx_mpi000
○loop 68gmx_mpi000
○loop 108gmx_mpi000
○loop 106gmx_mpi000
○loop 123gmx_mpi00.040
○loop 60gmx_mpi000
○loop 107gmx_mpi00.040
○loop 122gmx_mpi000
○loop 96gmx_mpi000
○loop 117gmx_mpi000
○loop 61gmx_mpi000
○loop 64gmx_mpi000
○loop 104gmx_mpi000
○loop 93gmx_mpi000
○loop 69gmx_mpi000
○loop 109gmx_mpi000
○loop 98gmx_mpi000
○loop 112gmx_mpi000
○loop 110gmx_mpi000
○loop 119gmx_mpi00.010
○loop 99gmx_mpi00.030
○loop 82gmx_mpi000
○loop 118gmx_mpi000
○loop 125gmx_mpi000
○loop 124gmx_mpi000
○loop 102gmx_mpi000
○loop 75gmx_mpi000
○loop 114gmx_mpi000
○loop 95gmx_mpi00.010
○loop 73gmx_mpi000
○loop 113gmx_mpi000
○loop 87gmx_mpi000
○loop 91gmx_mpi000
○loop 103gmx_mpi00.020
○loop 78gmx_mpi000
○loop 70gmx_mpi000
○loop 111gmx_mpi00.020
○loop 88gmx_mpi000
○loop 66gmx_mpi000
○loop 89gmx_mpi00.010
○loop 77gmx_mpi000
○loop 81gmx_mpi000
○loop 90gmx_mpi000
○loop 76gmx_mpi000
○loop 84gmx_mpi000
○loop 101gmx_mpi000
○loop 71gmx_mpi000
○loop 65gmx_mpi000
○loop 94gmx_mpi000
○loop 72gmx_mpi000
○loop 59gmx_mpi000
○loop 74gmx_mpi000
○loop 62gmx_mpi000
○loop 100gmx_mpi000
○loop 85gmx_mpi000
○loop 58gmx_mpi000
○loop 120gmx_mpi000
○loop 63gmx_mpi000
○loop 86gmx_mpi000
○loop 97gmx_mpi000
○loop 121gmx_mpi000
○loop 116gmx_mpi000
○__kmp_finish_implicit_tasklibiomp5.so0.010.010.010.010.010.020.010.020.020.03000.0000.0131OMP (%): 100.00
○__kmpc_for_static_finilibiomp5.so0.010.010.010.010.010.020.010.020.020.04000.0000.0131OMP (%): 100.00
►_INTERNALb293ce76::reduce_buffer_flags(gmx::ArrayRef, int, gmx::ArrayRef >)+libgromacs_mpi.so.70.0100.010.010.010.220.110.160.150.22000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 2826+libgromacs_mpi.so.7000
○loop 2827libgromacs_mpi.so.70.010.220
○L__ZN3gmx15constrain_lincsEbRK10t_inputreclPNS_5LincsENS_8ArrayRefIKfEEPK9t_commrecPK14gmx_multisim_tNS_19ArrayRefWithPaddingIKNS_11BasicVectorIfEEEENSE_ISG_EENS5_ISG_EEPA3_S6_P5t_pbcbfPffSK_bPA3_fNS_18ConstraintVariableEP6t_nrnbiPi_2483__par_region0_2_21libgromacs_mpi.so.70.0100.010.010.010.020.010.020.020.03000.0000.0131/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, gmx::ArrayRef, gmx::ArrayRef, t_state*, gmx::ArrayRefWithPadding const> const&, t_fcdata*, gmx_eki...+libgromacs_mpi.so.70.010.010.010.010.010.010.010.020.020.03000.0000.0131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 19299+libgromacs_mpi.so.700.010
►loop 19300+libgromacs_mpi.so.700.010
○loop 19301libgromacs_mpi.so.7000
○loop 19302libgromacs_mpi.so.7000
►_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.70.010.010.010.010.010.020.010.020.020.03000.0000.0131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 4287+libgromacs_mpi.so.700.010
►loop 4286+libgromacs_mpi.so.70.010.010
○loop 4290libgromacs_mpi.so.7000
○loop 4289libgromacs_mpi.so.7000
○loop 4288libgromacs_mpi.so.7000
○loop 4291libgromacs_mpi.so.7000
►void _INTERNAL83cfe191::orderVector >(gmx::ArrayRef, gmx::ArrayRef >, gmx::ArrayRef >)+libgromacs_mpi.so.70.010.010.010.010.010.20.20.230.230.29000.0000.0131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 4134libgromacs_mpi.so.700.110
○loop 4133libgromacs_mpi.so.700.090
○mkl_serv_verbose_mode@pltlibmkl_intel_lp64.so.20.010.010.010.010.010.010.010.020.020.03000.0000.0131Math (%): 100.00
○__sched_yieldlibc.so.60.0100.010.010.010.020.010.020.020.02000.0000.0131System (%): 100.00
○mkl_dft_avx512_transfer_ipp_mkl_errorlibmkl_avx512.so.20.0100.010.010.010.020.010.020.020.03000.000031Math (%): 100.00
○__libm_expf_l9libgromacs_mpi.so.70.0100.010.010.010.180.10.160.160.21000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○_INTERNAL01945b58::(anonymous namespace)::calc_one_bond(int, int, InteractionDefinitions const&, gmx::ArrayRef, int, WorkDivision const&, float const (*) [3], float (*) [4], float (*) [3], t_forcerec const*, t_pbc const*, gmx_grppairener_t*, t_n...libgromacs_mpi.so.70.010.010.010.010.010.020.010.020.020.04000.0000.0131/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.70.010.010.010.010.010.010.010.020.010.03000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 17979libgromacs_mpi.so.700.010
○_INTERNAL1bba7552::gmx::lincs_update_atoms(_INTERNAL1bba7552::gmx::Lincs*, int, float, _INTERNAL1bba7552::gmx::ArrayRef, _INTERNAL1bba7552::gmx::ArrayRef<_INTERNAL1bba7552::gmx::BasicVector const>, _INTERNAL1bba7552::gmx::ArrayReflibgromacs_mpi.so.70.0100.010.010.010.010.010.020.020.02000.0000.0131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○parse_printf_formatlibc.so.60.0100.010.010.010.160.110.140.140.18000.000031IO (%): 100.00
○void std::allocator_traits >::_S_destroy, float>(gmx::Allocator&, float*, ...)libgromacs_mpi.so.70.0100.010.010.010.160.10.140.140.17000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►set_pbc_simd(t_pbc const*, float*)+libgromacs_mpi.so.70.0100.010.010.010.020.010.010.010.03000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 5621libgromacs_mpi.so.7000
►gmx::ThreadedForceBuffer::reduce(gmx::ForceWithShiftForces*, float*, gmx_grppairener_t*, gmx::ArrayRef, gmx::StepWorkload const&, int)+libgromacs_mpi.so.70.0100.0000.010.140.050.120.130.17000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 5294+libgromacs_mpi.so.7000
►loop 5295+libgromacs_mpi.so.7000
○loop 5296libgromacs_mpi.so.700.020
►loop 5298+libgromacs_mpi.so.7000
○loop 5297libgromacs_mpi.so.700.080
►loop 5292+libgromacs_mpi.so.7000
○loop 5293libgromacs_mpi.so.7000
►loop 5299+libgromacs_mpi.so.7000
○loop 5300libgromacs_mpi.so.700.040
○__kmpc_for_static_init_8ulibiomp5.so0.0100.010.010.010.010.010.010.010.03000.000031OMP (%): 100.00
►Nbnxm::Grid::calcColumnIndices(Nbnxm::Grid::Dimensions const&, gmx::UpdateGroupsCog const*, gmx::Range, gmx::ArrayRef const>, int, int const*, int, int, gmx::ArrayRef, gmx::ArrayRef)+libgromacs_mpi.so.70.0100.010.010.010.010.010.010.010.02000.0000.0131/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 2005libgromacs_mpi.so.70.010.010
○loop 2004libgromacs_mpi.so.7000
○loop 2006libgromacs_mpi.so.7000
►int _INTERNAL80d859f8::make_bondeds_zone(gmx_reverse_top_t const&, gmx::ArrayRef, gmx_ga2la_t const&, gmx_domdec_zones_t const&, std::vector > const&, bool, int const*, bool, float, t_pbc cons...+libgromacs_mpi.so.70.0100.010.010.010.010.010.010.010.02000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
►loop 3962+libgromacs_mpi.so.70.010.010
►loop 3963+libgromacs_mpi.so.7000
○loop 3964libgromacs_mpi.so.7000
○loop 3967libgromacs_mpi.so.7000
○loop 3968libgromacs_mpi.so.7000
○loop 3970libgromacs_mpi.so.7000
○loop 3965libgromacs_mpi.so.7000
○loop 3966libgromacs_mpi.so.7000
○loop 3969libgromacs_mpi.so.7000
○__kmp_fork_barrier(int, int)libiomp5.so0.0100.010.010.010.010.010.010.010.03000.000031OMP (%): 100.00
►_INTERNAL83cfe191::make_dd_indices(gmx_domdec_t*, int)+libgromacs_mpi.so.70.0100.010.010.010.130.080.130.130.17000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 4193libgromacs_mpi.so.7000
○loop 4194libgromacs_mpi.so.7000
○loop 4188libgromacs_mpi.so.7000
○loop 4182libgromacs_mpi.so.7000
○loop 4192libgromacs_mpi.so.7000
○loop 4189libgromacs_mpi.so.7000
►loop 4183+libgromacs_mpi.so.7000
►loop 4184+libgromacs_mpi.so.7000
►loop 4185+libgromacs_mpi.so.70.010.130
○loop 4186libgromacs_mpi.so.7000
○loop 4187libgromacs_mpi.so.7000
○loop 4190libgromacs_mpi.so.7000
○loop 4191libgromacs_mpi.so.7000
►_INTERNAL83cfe191::clearDDStateIndices(gmx_domdec_t*, bool)+libgromacs_mpi.so.7000.0000.010.130.080.120.120.18000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○loop 4102libgromacs_mpi.so.7000
►loop 4097+libgromacs_mpi.so.700.130
○loop 4098libgromacs_mpi.so.7000
○loop 4103libgromacs_mpi.so.7000
○loop 4105libgromacs_mpi.so.7000
○loop 4101libgromacs_mpi.so.7000
○loop 4104libgromacs_mpi.so.7000
○loop 4106libgromacs_mpi.so.7000
○loop 4099libgromacs_mpi.so.7000
○loop 4100libgromacs_mpi.so.7000
○_INTERNALb293ce76::icell_set_x_simd_2xnn(int, float, float, float, int, float const*, NbnxnPairlistCpuWork*)libgromacs_mpi.so.7000.0000.010.020.010.010.010.02000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○atan2flibgromacs_mpi.so.7000.0000.010.0100.010.010.02000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○__tls_get_addrld-linux-x86-64.so.2000.0000.010.010.010.010.010.03000.000031System (%): 96.73
OMP (%): 3.27
○_INTERNAL1bba7552::gmx::lincs_thread_setup(_INTERNAL1bba7552::gmx::Lincs*, int)libgromacs_mpi.so.7000.0000.010.110.060.120.110.16000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○gmx::ArrayRefWithPadding const>::swap(gmx::ArrayRefWithPadding const>&)libgromacs_mpi.so.7000.00000.0100.010.010.02000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○__kmp_yieldlibiomp5.so000.0000.010.010.010.010.010.02000.000031OMP (%): 100.00
○L__Z12reduceForcesP16nbnxn_atomdata_tN3gmx12AtomLocalityERKN5Nbnxm7GridSetEPA3_f_1262__par_region0_2_48libgromacs_mpi.so.7000.0000.010.010.010.010.010.02000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○Nbnxm::Grid::setCellIndices(int, int, Nbnxm::GridSetData*, gmx::ArrayRef, gmx::Range, gmx::ArrayRef, gmx::ArrayRef const>, int, nbnxn_atomdata_t*)libgromacs_mpi.so.7000.00000.10.050.080.090.12000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○gmx::make_at2con(int, gmx::ArrayRef, gmx::ArrayRef, gmx::FlexibleConstraintTreatment)libgromacs_mpi.so.7000.0000.010.10.060.100.10.14000.000031/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.7000.0000000.010.010.02000.000031/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, t_fcdata*, t_disresdata*, t_oriresda...libgromacs_mpi.so.7000.00000.020.010.010.010.03000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○__kmp_task_team_synclibiomp5.so000.010.010.010.010.010.010.010.03000.000031OMP (%): 100.00
○_dl_deallocate_tlsld-linux-x86-64.so.2000.010.010.010.010.010.010.010.03000.000031OMP (%): 99.69
System (%): 0.31
○gmx::ThreadForceBuffer::processMask()libgromacs_mpi.so.7000.0000.010.0100.010.010.02000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○__libm_cos_l9libgromacs_mpi.so.7000.0000.010.0100.010.010.02000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○make_dp_periodic(float*)libgromacs_mpi.so.7000.00000.0200.010.010.03000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○__kmp_api_omp_get_thread_numlibiomp5.so000.00000.0100.010.010.02000.000031OMP (%): 100.00
○void _INTERNAL83cfe191::orderVector(gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef)libgromacs_mpi.so.7000.00000.080.020.050.050.09000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○L__ZN17_INTERNALb293ce7620rebalanceSimpleListsEN3gmx8ArrayRefIK16NbnxnPairlistCpuEENS1_IS2_EENS1_I14PairsearchWorkEE_3681__par_region0_2_143libgromacs_mpi.so.7000.0000.010.0100.010.010.01000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○_INTERNALb293ce76::addNewIEntry(NbnxnPairlistCpu*, int, int, int)libgromacs_mpi.so.7000.00000.0100.010.010.02000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef, float, bool, t_commrec const*, gmx::Lincs*)libgromacs_mpi.so.7000.00000.060.010.040.040.07000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○splinedata_t::~splinedata_t()libgromacs_mpi.so.7000.00000.060.050.090.090.13000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○_INTERNAL3b86f157::copyMovedAtomsToBufferPerAtom(gmx::ArrayRef, int, int, float (*) [3], gmx_domdec_comm_t*)libgromacs_mpi.so.7000.00000.060.020.040.040.07000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○nral_rt(int)libgromacs_mpi.so.7000.00000.0100.010.010.02000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○__kmp_resume_if_soft_pausedlibiomp5.so000.00000.0100.010.010.01000.000031OMP (%): 100.00
○nbnxn_atomdata_t::resizeForceBuffers()libgromacs_mpi.so.7000.00000.050.040.060.070.08000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○acosflibgromacs_mpi.so.7000.0000000.0000.01000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○void _INTERNALa73835ba::doStopComMotionLinear<3>(t_mdatoms const&, gmx::ArrayRef >, t_vcm const&)libgromacs_mpi.so.7000.0000000.010.010.01000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○gmx::SettleData::hw2() constlibgromacs_mpi.so.7000.00000.0100.010.010.01000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○gmx::SettleData::hw3() constlibgromacs_mpi.so.7000.00000.0100.020.020.04000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○gmx::ThreadForceBuffer::~ThreadForceBuffer()libgromacs_mpi.so.7000.00000.050.010.040.040.06000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○__kmp_fork_calllibiomp5.so000.00000.050.020.050.050.08000.000031OMP (%): 100.00
○_INTERNAL1bba7552::gmx::assign_constraint(_INTERNAL1bba7552::gmx::Lincs*, int, int, int, float, float, _INTERNAL1bba7552::gmx::ListOfLists const&)libgromacs_mpi.so.7000.00000.050.020.040.040.08000.000031/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.7000.0000000.010.010.01000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○__kmp_acquire_ticket_locklibiomp5.so000.00000.050.010.040.040.07000.000031OMP (%): 100.00
○gmx_parallel_3dfft_execute(gmx_parallel_3dfft*, gmx_fft_direction, int, gmx_wallcycle*)libgromacs_mpi.so.7000.0000000.0000.01000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○gmx::SettleData::ow1() constlibgromacs_mpi.so.7000.00000.0100.010.010.01000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○gmx::csettle(gmx::SettleData const&, int, int, t_pbc const*, gmx::ArrayRefWithPadding const>, gmx::ArrayRefWithPadding >, float, gmx::ArrayRefWithPadding >, bool, float (*) [3], bool*)libgromacs_mpi.so.7000.00000.0100.010.010.01000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○_INTERNALb293ce76::set_icell_bb_simple(gmx::ArrayRef, int, float, float, float, Nbnxm::BoundingBox*)libgromacs_mpi.so.7000.0000000.010.010.01000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○clear_fshift(float*)libgromacs_mpi.so.7000.0000000.010.010.01000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○__kmpc_singlelibiomp5.so000.00000.0100.010.010.03000.000031OMP (%): 100.00
○std::vector >::_M_default_append(unsigned long)libgromacs_mpi.so.7000.00000.040.020.050.040.1000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○calc_vcm_grp(t_mdatoms const&, gmx::ArrayRef const>, gmx::ArrayRef const>, t_vcm*)libgromacs_mpi.so.7000.0000000.010.010.01000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○gmx::ArrayRef::ArrayRef > const&, void>(std::vectorlibgromacs_mpi.so.7000.00000.0100.0000.01000.000031/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.7000.00000.0100.010.010.02000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○gmx_omp_get_thread_num()libgromacs_mpi.so.7000.0000000.010.010.02000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○@plt_start@libiomp5.so000.0000000.0000.01000.000031OMP (%): 100.00
○void _INTERNAL83cfe191::orderVector(gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef)libgromacs_mpi.so.7000.00000.040.010.050.050.07000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○Nbnxm::GridSet::setLocalAtomOrder()libgromacs_mpi.so.7000.00000.040.010.040.040.06000.000031/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.7000.00000.040.020.040.030.07000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○_INTERNALc226143a::addAtomtype(std::vector >*, atom_nonbonded_kinetic_prop_t const&, int)libgromacs_mpi.so.7000.00000.0400.030.030.05000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○__kmp_allocate_teamlibiomp5.so000.00000.0400.030.030.08000.000031OMP (%): 100.00
○gmx_reverse_top_t::hasIntermolecularInteractions() constlibgromacs_mpi.so.7000.0000000.0000.01000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○gmx_reverse_top_t::molblockIndices() constlibgromacs_mpi.so.7000.00000.0100.010.010.01000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○__kmp_run_after_invoked_tasklibiomp5.so000.00000.0100.010.010.01000.000031OMP (%): 100.00
○clearForceBuffer(nbnxn_atomdata_t*, int)libgromacs_mpi.so.7000.0000000.010.010.01000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○gmx::SettleData::setConstraints(InteractionList const&, int, gmx::ArrayRef, gmx::ArrayRef)libgromacs_mpi.so.7000.00000.0300.020.020.04000.000029/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.7000.00000.030.010.030.030.06000.000031/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 const>, bonded_distance_t*, bonded_distance_t*)libgromacs_mpi.so.7000.00000.0300.010.010.03000.000031
○_IO_vfprintflibc.so.6000.00000.030.020.050.050.09000.000031IO (%): 100.00
○__xpg_basenamelibc.so.6000.00000.0300.040.040.06000.000031System (%): 100.00
○SplineCoefficients::realloc(int)libgromacs_mpi.so.7000.00000.0300.030.030.05000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○_INTERNAL3b86f157::copyMovedUpdateGroupCogs(gmx::ArrayRef, int, gmx::ArrayRef const>, gmx_domdec_comm_t*)libgromacs_mpi.so.7000.00000.0300.020.020.06000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○__kmp_release_ticket_locklibiomp5.so000.00000.030.010.030.030.05000.000031OMP (%): 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.7000.00000.0300.020.020.04000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○__kmpc_masterlibiomp5.so000.0000000.0000.01000.000031OMP (%): 100.00
○mkl_dft_avx512_transfer_ipp_mkl_error@pltlibmkl_avx512.so.2000.00000.0100.010.010.02000.000031Math (%): 100.00
○_INTERNALbcb7f4c5::low_set_pbc(t_pbc*, PbcType, int const*, float const (*) [3])libgromacs_mpi.so.7000.00000.0300.020.010.04000.000031
○__nss_database_lookuplibc.so.6000.00000.0300.020.020.05000.000031Others (%): 100.00
○gmx_reverse_top_t::interactionListForMoleculeType(int) constlibgromacs_mpi.so.7000.0000000.0000.01000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○__kmp_get_global_thread_id_reglibiomp5.so000.0000000.010.010.01000.000031OMP (%): 100.00
○L__ZN11PairlistSet18constructPairlistsEN3gmx19InteractionLocalityERKN5Nbnxm7GridSetENS0_8ArrayRefI14PairsearchWorkEEP16nbnxn_atomdata_tRKNS0_11ListOfListsIiEEiP6t_nrnbP19SearchCycleCounting_4092__par_region2_2_64libgromacs_mpi.so.7000.0000000.0000.01000.000021/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○gmx_ga2la_t::clear(bool)libgromacs_mpi.so.7000.00000.0200.020.020.04000.000030/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, bool, int const*, bool, float, t_pbc const*, gmx::ArrayRef const>, InteractionDefinitions*, gm...libgromacs_mpi.so.7000.00000.020.010.030.030.05000.000031/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.7000.00000.0200.020.020.06000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○getGroupType(SimulationGroups const&, SimulationAtomGroupType, int)libgromacs_mpi.so.7000.0000000.0100.02000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○gmx_reverse_top_t::hasPositionRestraints() constlibgromacs_mpi.so.7000.00000.0100.0000.01000.000030/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.7000.00000.0200.010.010.03000.000030/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○__kmp_run_before_invoked_tasklibiomp5.so000.0000000.0000.01000.000031OMP (%): 100.00
○gmx::ArrayRef::ArrayRef > const&, void>(std::vector > const&)libgromacs_mpi.so.7000.0000000.0000.01000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○mkl_dft_avx512_owns_cRealRecombine_32f@pltlibmkl_avx512.so.2000.00000.0100.0000.01000.000031Math (%): 100.00
○Nbnxm::Grid::sortColumnsCpuGeometry(Nbnxm::GridSetData*, int, gmx::ArrayRef, gmx::ArrayRef const>, nbnxn_atomdata_t*, gmx::Range, gmx::ArrayRef)libgromacs_mpi.so.7000.0000000.0000.01000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○__kmpc_global_thread_numlibiomp5.so000.0000000.0000.01000.000031
○xdr_float(XDR*, float*)libgromacs_mpi.so.7000.00000.0100.0000.01000.000011/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○gmx::LegacySimulator::do_md()libgromacs_mpi.so.7000.00000.0100.010.010.04000.000029/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○nrnbIndex(int)libgromacs_mpi.so.7000.00000.0100.0000.01000.00009/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○getThreadAtomRange(int, int, int, int*, int*)libgromacs_mpi.so.7000.00000.0100.0000.01000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○CpuPpLongRangeNonbondeds::calculate(gmx_pme_t*, t_commrec const*, gmx::ArrayRef const>, gmx::ForceWithVirial*, gmx_enerdata_t*, float const (*) [3], gmx::ArrayRef, gmx::ArrayRef const>, gmx::Step...libgromacs_mpi.so.7000.00000.0100.0000.01000.000017/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○gmx::Constraints::Impl::apply(bool, bool, long, int, float, gmx::ArrayRefWithPadding >, gmx::ArrayRefWithPadding >, gmx::ArrayRef >, float const (*) [3], float, float*, gmx::ArrayRefWi...libgromacs_mpi.so.7000.00000.0100.010.010.03000.000024/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○_INTERNAL3b86f157::clear_and_mark_ind(gmx::ArrayRef, gmx::ArrayRef, gmx_ga2la_t*, int*)libgromacs_mpi.so.7000.00000.0100.030.030.07000.000031/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.7000.00000.0100.020.020.04000.000031/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.7000.00000.0100.0000.01000.000012/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, gmx::Constraints*, int, gmx::ArrayRef)libgromacs_mpi.so.7000.00000.0100.020.020.05000.000030/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○__kmp_internal_forklibiomp5.so000.00000.010.010.030.030.06000.000031OMP (%): 100.00
○L__ZN11PairlistSet19dispatchPruneKernelEPK16nbnxn_atomdata_tN3gmx8ArrayRefIKNS3_11BasicVectorIfEEEE_68__par_region0_2_0libgromacs_mpi.so.7000.0000000.0000.01000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○nbnxn_atomdata_t::~nbnxn_atomdata_t()libgromacs_mpi.so.7000.00000.010.010.030.030.06000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○__kmpc_fork_calllibiomp5.so000.00000.0100.020.010.04000.000027OMP (%): 100.00
○gmx::InMemoryDeserializer::doFloat(float*)libgromacs_mpi.so.7000.00000.0100.010.010.03000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○__libm_exp_k32libgromacs_mpi.so.7000.00000.0100.010.010.04000.000031
○expflibgromacs_mpi.so.7000.00000.0100.010.010.03000.000031
○_INTERNAL0dd57185::xdrstdio_putint32(XDR*, int*)libgromacs_mpi.so.7000.00000.0100.0000.01000.000014/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○gmx::ArrayRef gmx::arrayRefFromArray(float (*) [3], unsigned long)libgromacs_mpi.so.7000.00000.0100.0000.01000.00007/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○PmeAtomComm::setNumAtoms(int)libgromacs_mpi.so.7000.00000.0100.010.010.01000.000024/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○gmx_pme_do(gmx_pme_t*, gmx::ArrayRef const>, gmx::ArrayRef >, gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef, gmx::A...libgromacs_mpi.so.7000.00000.0100.010.010.02000.000020/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, gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef, int, t_forcerec const*, ...libgromacs_mpi.so.7000.0000000.0000.01000.000030/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○_INTERNAL1bba7552::gmx::set_lincs_matrix(_INTERNAL1bba7552::gmx::Lincs*, _INTERNAL1bba7552::gmx::ArrayRef, float)libgromacs_mpi.so.7000.00000.010.010.020.030.04000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○gmx::constrain_lincs(bool, t_inputrec const&, long, gmx::Lincs*, gmx::ArrayRef, t_commrec const*, gmx_multisim_t const*, gmx::ArrayRefWithPadding const>, gmx::ArrayRefWithPadding >, gmx::ArrayRef...libgromacs_mpi.so.7000.00000.0100.010.010.02000.000022/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.7000.00000.010.010.020.020.04000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○inflate_fastlibmpi.so.12.0.0000.00000.0100.0000.01000.000030MPI (%): 100.00
○_INTERNALd0075a52::mk_grey(gmx::ArrayRef, t_graph*, int*, int, float const (*) [3], float const (*) [3], int*)libgromacs_mpi.so.7000.00000.010.010.020.020.04000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○gmx::ForceProviders::calculateForces(gmx::ForceProviderInput const&, gmx::ForceProviderOutput*) constlibgromacs_mpi.so.7000.00000.0100.0000.01000.00008/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○dd_check_ftype(int, ReverseTopOptions const&)libgromacs_mpi.so.7000.00000.0100.010.010.02000.000029/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○wallcycle_start(gmx_wallcycle*, WallCycleCounter)libgromacs_mpi.so.7000.00000.0100.0000.01000.000017/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○_INTERNAL80d859f8::combine_idef(InteractionDefinitions*, gmx::ArrayRef)libgromacs_mpi.so.7000.00000.0100.0000.01000.000023/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○__kmp_join_calllibiomp5.so000.00000.0100.020.020.05000.000031OMP (%): 100.00
○void std::vector > >::_M_realloc_insert(__gnu_cxx::__normal_iteratorlibgromacs_mpi.so.7000.0000000.0000.01000.000024/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○__libc_freelibc.so.6000.0000000.0000.01000.000015Memory (%): 100.00
○gmx::InMemoryDeserializer::doReal(float*)libgromacs_mpi.so.7000.00000.0100.010.010.01000.000023/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○_dl_rtld_di_serinfold-linux-x86-64.so.2000.00000.0100.010.010.02000.000031System (%): 100.00
○__libm_logf_l9libgromacs_mpi.so.7000.0000000.0000.01000.000014/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○explibgromacs_mpi.so.7000.0000000.010.010.02000.000023/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○erfcflibgromacs_mpi.so.7000.0000000.010.010.04000.000031
○coslibgromacs_mpi.so.7000.0000000.0000.01000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○_INTERNAL932390f6::do_ilists(gmx::ISerializer*, std::array*, int)libgromacs_mpi.so.7000.0000000.0000.01000.00008/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○gmx::ArrayRefWithPadding const>::ArrayRefWithPadding >, void>(gmx::ArrayRefWithPadding >&&)libgromacs_mpi.so.7000.0000000.0000000.00006/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○gmx::PaddedVector, gmx::Allocator, gmx::AlignedAllocationPolicy> >::arrayRefWithPadding()libgromacs_mpi.so.7000.0000000.0000000.00004/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○mkl_serv_malloclibmkl_core.so.2000.0000000.0000000.00001Math (%): 100.00
○spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int)libgromacs_mpi.so.7000.0000000.0000.01000.000017/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○ListedForces::haveCpuBondeds() constlibgromacs_mpi.so.7000.0000000.0000000.000010/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 const>, gmx::ArrayRef const>, t_fcdata*, history_t const*, gmx::...libgromacs_mpi.so.7000.0000000.0000.01000.00009/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, t_fcdata*, t_disresdata*, t_oriresdata*, int*, BondedKernelFlavor)libgromacs_mpi.so.7000.0000000.0000.01000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○gmx::ArrayRef gmx::arrayRefFromArray(unsigned short*, unsigned long)libgromacs_mpi.so.7000.0000000.0000.01000.00005/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○gmx::ArrayRef::ArrayRef > const&, void>(std::vector > const&)libgromacs_mpi.so.7000.0000000.0000000.00006/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○gmx::ArrayRefWithPadding const>::ArrayRefWithPadding >&, void>(gmx::ArrayRefWithPadding >&)libgromacs_mpi.so.7000.0000000.0000.01000.000011/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○_INTERNALc6865387::setupForceOutputs(ForceHelperBuffers*, gmx::ArrayRefWithPadding >, gmx::DomainLifetimeWorkload const&, gmx::StepWorkload const&, bool, gmx_wallcycle*)libgromacs_mpi.so.7000.0000000.0100.02000.000019/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.7000.0000000.010.010.03000.000026/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○mdoutf_get_tng_compressed_lambda_output_interval(gmx_mdoutf*)libgromacs_mpi.so.7000.0000000.0000000.00002/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○gmx::Lincs::~Lincs()libgromacs_mpi.so.7000.0000000.0000000.00006/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○reset_dvdl_enerdata(gmx_enerdata_t*)libgromacs_mpi.so.7000.0000000.0000.01000.00007/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○float gmx::GammaDistribution::operator() >(gmx::ThreeFry2x64<64u>&, gmx::GammaDistribution::param_type const&)libgromacs_mpi.so.7000.0000000.0000000.00003/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○gmx::ThreeFry2x64General<20u, 64u>::restart(unsigned long, unsigned long)libgromacs_mpi.so.7000.0000000.0000000.00002/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○vrescale_resamplekin(float, float, float, float, long, long)libgromacs_mpi.so.7000.0000000.0000000.00005/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.7000.0000000.0000.01000.000011/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○_INTERNALb7c28a0f::gmx::constr_recur(_INTERNALb7c28a0f::gmx::ListOfLists const&, std::array const&, _INTERNALb7c28a0f::gmx::ArrayRef, bool, int, int, int, _INTERNALb7c28a0f::gmx::ArrayRef, float, float, flo...libgromacs_mpi.so.7000.0000000.0000.01000.000026/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○unsigned long std::allocator_traits, gmx::AlignedAllocationPolicy> >::_S_max_size, gmx::AlignedAllocationPolicy> const>(gmx::Allocator, gmx::AlignedAlloca...libgromacs_mpi.so.7000.0000000.0000000.00001/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○gmx::PaddedVector, gmx::Allocator, gmx::HostAllocationPolicy> >::arrayRefWithPadding()libgromacs_mpi.so.7000.0000000.0000.01000.00007/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○gmx::ImdSession::updateEnergyRecordAndSendPositionsAndEnergies(bool, long, bool)libgromacs_mpi.so.7000.0000000.0000.01000.00005/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○InteractionDefinitions::clear()libgromacs_mpi.so.7000.0000000.0000.01000.000027/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○walltime_accounting_get_time_since_start(gmx_walltime_accounting*)libgromacs_mpi.so.7000.0000000.0000000.00003/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○numPbcDimensions(PbcType)libgromacs_mpi.so.7000.0000000.0000.01000.000012/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○check_box(PbcType, float const (*) [3])libgromacs_mpi.so.7000.0000000.0000000.00003/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.7000.0000000.0000.01000.000031
○void _INTERNALd056bbd4::gmx::(anonymous namespace)::reduceThreadForceBuffers(_INTERNALd056bbd4::gmx::ArrayRef<_INTERNALd056bbd4::gmx::BasicVector >, _INTERNALd056bbd4::gmx::ArrayReflibgromacs_mpi.so.7000.0000000.0000.01000.00004/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○gmx_within_tol(double, double, double)libgromacs_mpi.so.7000.0000000.0000000.00001/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○gmx::invertBoxMatrix(float const (*) [3], float (*) [3])libgromacs_mpi.so.7000.0000000.0000000.00007/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○_ZN17_INTERNAL83cfe19115dd_set_atominfoEN3gmx8ArrayRefIKiEEiiP10t_forcerec..1libgromacs_mpi.so.7000.0000000.0000.01000.000021/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_19libgromacs_mpi.so.7000.0000000.0000.01000.000016/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○dd_clear_local_constraint_indices(gmx_domdec_t*)libgromacs_mpi.so.7000.0000000.0000.01000.000018/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○getutmplibc.so.6000.0000000.0000.01000.00006IO (%): 100.00
○dd_pme_maxshift_y(gmx_domdec_t const&)libgromacs_mpi.so.7000.0000000.0000.01000.00006/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.7000.0000000.0000000.00002/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○__kmp_push_num_threadslibiomp5.so000.0000000.0000.01000.000011OMP (%): 100.00
○gmx::ArrayRef::ArrayRef > const&, void>(std::vector > const&)libgromacs_mpi.so.7000.0000000.0000000.00005/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○nonbonded_verlet_t::~nonbonded_verlet_t()libgromacs_mpi.so.7000.0000000.0000000.00002/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.7000.0000000.0000.01000.000012/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_72libgromacs_mpi.so.7000.0000000.0000.01000.000015/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○void std::allocator_traits, gmx::HostAllocationPolicy> >::_S_destroy, gmx::HostAllocationPolicy>, gmx::BasicVector >(gmx::Allocator, gmx::HostAlloc...libgromacs_mpi.so.7000.0000000.0000.01000.000019/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○void std::allocator_traits >::_S_destroy, int>(gmx::Allocator&, int*, ...)libgromacs_mpi.so.7000.0000000.0000.01000.000014/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.7000.0000000.010.010.03000.000031/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○nbnxn_atomdata_copy_shiftvec(bool, gmx::ArrayRef >, nbnxn_atomdata_t*)libgromacs_mpi.so.7000.0000000.0000.02000.000013/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○std::vector > >::_M_default_append(unsigned long)libgromacs_mpi.so.7000.0000000.0000.01000.000020/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○__kmpc_end_singlelibiomp5.so000.0000000.0000.01000.00008OMP (%): 100.00
○__kmpc_ok_to_forklibiomp5.so000.0000000.0000000.00006OMP (%): 100.00
○__clock_gettimelibc.so.6000.0000000.0000.02000.000012System (%): 100.00
○__default_morecorelibc.so.6000.0000000.0000.01000.000025System (%): 100.00
○timer_settimelibc.so.6000.0000000.0000.01000.00007System (%): 100.00
○_IO_file_xsputnlibc.so.6000.0000000.0000.01000.000019IO (%): 100.00
○gmx::InMemoryDeserializer::doInt(int*)libgromacs_mpi.so.7000.0000000.0000.01000.000027/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○gmx::InMemorySerializer::doInt(int*)libgromacs_mpi.so.7000.0000000.0000.01000.000026/home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7 (%): 100.00
○mkl_dft_avx512_ippsFFTFwd_RToPerm_32f@pltlibmkl_avx512.so.2000.0000000.0000.01000.000016Math (%): 100.00
○_IO_fwritelibc.so.6000.0000000.020.020.03000.000031IO (%): 100.00
○__strtof128_nanlibc.so.6000.0000000.0000.01000.000014String (%): 100.00
○_dl_audit_symbind_altld-linux-x86-64.so.2000.0000000.0000.01000.00007System (%): 100.00
○_dl_mcountld-linux-x86-64.so.2000.0000000.0000.01000.000023System (%): 100.00
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