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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