options

Loops Index

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

▼Colums Filter

Level Coverage 1x52 (%) Max Time Over Threads 1x52 (s) Time w.r.t. Wall Time 1x52 (s) Nb Threads 1x52 GFLOPS 1x52 Vectorization Ratio (%) Vector Length Use (%) Speedup If No Scalar Integer Speedup If FP Vectorized Speedup If Fully Vectorized Speedup If Perfect Load Balancing 1x52 Stride 0 Stride 1 Stride n Stride Unknown Stride Indirect
Loop idSource LocationSource FunctionLevelCoverage 1x52 (%)Max Time Over Threads 1x52 (s)Time w.r.t. Wall Time 1x52 (s)Nb Threads 1x52GFLOPS 1x52Vectorization Ratio (%)Vector Length Use (%)Speedup If No Scalar IntegerSpeedup If FP VectorizedSpeedup If Fully VectorizedSpeedup If Perfect Load Balancing 1x52Stride 0Stride 1Stride nStride UnknownStride Indirect
987libgromacs_mpi.so.7.0.0 - kernel_outer.h:547-547 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost18.7212.8310.23522403.3610094.931111.320122
985libgromacs_mpi.so.7.0.0 - kernel_outer.h:565-565 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost6.849.463.74522569.2210095.281112.6320122
21809libgromacs_mpi.so.7.0.0 - fft5d.cpp:884-886fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost4.532.832.48520.00012.51181.1800030
994libgromacs_mpi.so.7.0.0 - kernel_outer.h:547-547 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost2.7921.53522719.7410096.671111.3620122
21402libgromacs_mpi.so.7.0.0 - pme_gather.cpp:76-348 [...]gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)Outermost1.951.511.0652752.2554.140.162.231.061.361.47NANANANANA
21401libgromacs_mpi.so.7.0.0 - impl_x86_avx_512_util_float.h:493-493 [...]gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)Innermost1.851.361.0152410.2891.6785.94111.041.3902010
21742libgromacs_mpi.so.7.0.0 - pme_spread.cpp:639-641_INTERNALae0e43be::reduce_threadgrid_overlap(gmx_pme_t const*, pmegrids_t const*, int, float*, float*, float*, int)Innermost1.641.130.9522.4006.251.171.75161.3102000
21746libgromacs_mpi.so.7.0.0 - pme_spread.cpp:277-292 [...]_INTERNALae0e43be::make_bsplines(float**, float**, int, float (*) [3], int, int const*, float const*, bool)Outermost1.611.160.8852200.2218.189.641.111.0711.981.36NANANANANA
21753libgromacs_mpi.so.7.0.0 - pme_spread.cpp:331-400 [...]_INTERNALae0e43be::spread_coefficients_bsplines_thread(pmegrid_t const*, PmeAtomComm const*, splinedata_t*, pme_spline_work*)Outermost1.611.130.8852219.8855.6718.812.21.69.111.33NANANANANA
18653libgromacs_mpi.so.7.0.0 - lincs.cpp:276-287 [...]_INTERNAL1bba7552::gmx::lincs_matrix_expand(_INTERNAL1bba7552::gmx::Lincs const&, _INTERNAL1bba7552::gmx::Task const&, _INTERNAL1bba7552::gmx::ArrayRef<float const>, _INTERNAL1bba7552::gmx::ArrayRef<float>, _INTERNAL1bba7552::gmx::Array...InBetween1.450.880.7952295.574039.292.491.011.271.14NANANANANA
2124libgromacs_mpi.so.7.0.0 - iterator_interface.hpp:166-459 [...]void _INTERNALecfc3c36::clearBufferFlagged<3>(nbnxn_atomdata_t const&, int, gmx::ArrayRef<float>)Innermost1.331.020.73520.0006.2511161.4601000
992libgromacs_mpi.so.7.0.0 - kernel_outer.h:565-565 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost1.081.510.59522862.3810097.021112.6520122
21741libgromacs_mpi.so.7.0.0 - pme_spread.cpp:524-641 [...]_INTERNALae0e43be::reduce_threadgrid_overlap(gmx_pme_t const*, pmegrids_t const*, int, float*, float*, float*, int)InBetween10.610.55528.4916.1322.983.3411.241.15NANANANANA
21717libgromacs_mpi.so.7.0.0 - pme_spread.cpp:445-447L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_910__par_region0_2_2Single0.920.640.5520.0006.2511161.3302000
18661libgromacs_mpi.so.7.0.0 - iterator_interface.hpp:459-459 [...]_INTERNAL1bba7552::gmx::lincs_update_atoms_ind(_INTERNAL1bba7552::gmx::ArrayRef<int const>, _INTERNAL1bba7552::gmx::ArrayRef<_INTERNAL1bba7552::gmx::AtomPair const>, float, _INTERNAL1bba7552::gmx::ArrayRef<float const>, _INTERNAL1bba7552:...Single0.920.80.55242.9406.51.181.615.561.6701070
988libgromacs_mpi.so.7.0.0 - kernel_outer.h:541-544 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.880.70.48521806.5097.6893.061.01111.5231032
18654libgromacs_mpi.so.7.0.0 - lincs.cpp:282-284_INTERNAL1bba7552::gmx::lincs_matrix_expand(_INTERNAL1bba7552::gmx::Lincs const&, _INTERNAL1bba7552::gmx::Task const&, _INTERNAL1bba7552::gmx::ArrayRef<float const>, _INTERNAL1bba7552::gmx::ArrayRef<float>, _INTERNAL1bba7552::gmx::Array...Innermost0.860.870.4752229.301001001111.8902001
986libgromacs_mpi.so.7.0.0 - kernel_outer.h:559-562 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.680.980.37522260.9898.4941.01112.7230132
21719libgromacs_mpi.so.7.0.0 - pme_spread.cpp:104-145 [...]_INTERNALae0e43be::calc_interpolation_idx(gmx_pme_t const*, PmeAtomComm*, int, int, int, int)Single0.640.530.355287.9711.438.391.382.06161.5614108
982libgromacs_mpi.so.7.0.0 - stl_iterator.h:1107-1240 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Outermost0.640.620.35521172.3274.1668.071.471.021.311.82NANANANANA
1594libgromacs_mpi.so.7.0.0 - atomdata.cpp:1122-1221 [...]L__ZN17_INTERNALa817b2b737nbnxn_atomdata_add_nbat_f_to_f_reduceEP16nbnxn_atomdata_ti_1188__par_region0_2_51Innermost0.580.520.324845.501001001111.5801001
983libgromacs_mpi.so.7.0.0 - kernel_outer.h:581-581 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.570.550.31512051.1010091.031111.7710121
21816libgromacs_mpi.so.7.0.0 - fft5d.cpp:947-949fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.560.380.3520.0033.3316.671.517.21.3101020
1497libgromacs_mpi.so.7.0.0 - kernel_prune.cpp:109-151 [...]nbnxn_kernel_prune_2xnn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)Innermost0.510.330.28522000.0089.4782.241.14111.2201011
1597libgromacs_mpi.so.7.0.0 - atomdata.cpp:1207-1211 [...]L__ZN17_INTERNALa817b2b737nbnxn_atomdata_add_nbat_f_to_f_reduceEP16nbnxn_atomdata_ti_1188__par_region0_2_51Innermost0.50.340.275232.59012.51181.31NANANANANA
19336libgromacs_mpi.so.7.0.0 - update.cpp:481-481 [...]std::enable_if<std::is_same<float [3], float [3]>::value||std::is_same<float [3], float const [3]>::value, void>::type _INTERNAL568e5334::updateMDLeapfrogSimpleSimd<(StoreUpdatedVelocities)0, float [3]>(int, int, float, gmx::ArrayRe...Single0.470.360.255289.601001001.03111.4405000
2693libgromacs_mpi.so.7.0.0 - pairlist_simd_2xmm.h:130-176 [...]_INTERNALb293ce76::makeClusterListSimd2xnn(Nbnxm::Grid const&, NbnxnPairlistCpu*, int, int, int, bool, float const*, float, float, int*)Single0.380.290.2152200.7673.8239.31.421.161.741.453.5100.50
2125libgromacs_mpi.so.7.0.0 - kernel_common.cpp:54-76 [...]void _INTERNALecfc3c36::clearBufferFlagged<3>(nbnxn_atomdata_t const&, int, gmx::ArrayRef<float>)Outermost0.340.260.18520.00010.261112.971.440.510.500
19339libgromacs_mpi.so.7.0.0 - update.cpp:1638-1641L__ZN3gmx6Update4Impl13finish_updateERK10t_inputrecbiNS_8ArrayRefIKtEEP7t_stateP13gmx_wallcycleb_1637__par_region0_2_148Single0.320.230.17520.0006.2511161.3502000
18662libgromacs_mpi.so.7.0.0 - lincs.cpp:798-828 [...]_INTERNAL1bba7552::gmx::__regcall3__calc_dr_x_xp_simd(int, int, _INTERNAL1bba7552::gmx::ArrayRef<_INTERNAL1bba7552::gmx::AtomPair const>, float const (*) [3], float const (*) [3], float const*, float const*, float const*, float (*) [3], float*, floa...Single0.310.30.1752160.9410094.591111.8825014
1580libgromacs_mpi.so.7.0.0 - atomdata.cpp:226-236copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)Single0.290.360.16360.0006.2511161.6401600
21183libgromacs_mpi.so.7.0.0 - pairs.cpp:863-935 [...]void _INTERNAL5738f0d5::do_pairs_simple<gmx::SimdFloat, 16, float const*>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float const*, gmx::ArrayRef<float>, float)Single0.290.210.1652184.6325.4828.451.3311.31.4NANANANANA
18646libgromacs_mpi.so.7.0.0 - lincs.cpp:1087-1089 [...]_INTERNAL1bba7552::gmx::do_lincs(_INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector<float> const>, _INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector<float> >, float const (*...Innermost0.260.230.145259.3606.251.061.2161.6413010
2671libgromacs_mpi.so.7.0.0 - pairlist.cpp:2966-3474 [...]void _INTERNALb293ce76::nbnxn_make_pairlist_part<NbnxnPairlistCpu>(Nbnxm::GridSet const&, Nbnxm::Grid const&, Nbnxm::Grid const&, PairsearchWork*, nbnxn_atomdata_t const*, gmx::ListOfLists<int> const&, float, PairlistType, int, ...InBetween0.250.190.145233.933.417.241.832.5815.61.46NANANANANA
21721libgromacs_mpi.so.7.0.0 - pme_spread.cpp:172-174 [...]_INTERNALae0e43be::calc_interpolation_idx(gmx_pme_t const*, PmeAtomComm*, int, int, int, int)Single0.250.190.14520.0006.2511161.4620251
20843libgromacs_mpi.so.7.0.0 - bonded.cpp:1151-1255 [...]std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNALc075c6e4::(anonymous namespace)::angles<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc co...Single0.220.190.1252532.0047.2750.672.1311.451.58NANANANANA
2672libgromacs_mpi.so.7.0.0 - pairlist.cpp:3407-3411 [...]void _INTERNALb293ce76::nbnxn_make_pairlist_part<NbnxnPairlistCpu>(Nbnxm::GridSet const&, Nbnxm::Grid const&, Nbnxm::Grid const&, PairsearchWork*, nbnxn_atomdata_t const*, gmx::ListOfLists<int> const&, float, PairlistType, int, ...Innermost0.20.160.11527.2706.251.211.28161.600100
5130libgromacs_mpi.so.7.0.0 - threaded_force_buffer.cpp:209-211 [...]L__ZN17_INTERNALd056bbd43gmx12_GLOBAL__N_124reduceThreadForceBuffersIA4_fEEvNS0_8ArrayRefINS0_11BasicVectorIfEEEENS4_ISt10unique_ptrINS0_17ThreadForceBufferIT_EESt14default_deleteISB_EEEENS4_IKSt5arrayImLm2EEEENS4_IKiEE_170__par_region0_2_127Innermost0.190.160.15227.1006.2512.61161.601001
1588libgromacs_mpi.so.7.0.0 - atomdata.cpp:1173-1179 [...]_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])Single0.190.140.15242.4006.251.471.57161.402010
21715libgromacs_mpi.so.7.0.0 - pme_spread.cpp:197-199 [...]L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_1010__par_region4_2_4Innermost0.180.150.1520.0006.2511161.522000
21179libgromacs_mpi.so.7.0.0 - pairs.cpp:125-824 [...]float _INTERNAL5738f0d5::do_pairs_general<(BondedKernelFlavor)2>(int, int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float const*, float*, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gm...Single0.170.130.095265.566.258.111.71.6519.781.44NANANANANA
20856libgromacs_mpi.so.7.0.0 - bonded.cpp:2059-2126 [...]std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNALc075c6e4::(anonymous namespace)::pdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc con...Single0.160.140.0952174.6717.0615.422.5312.371.75NANANANANA
20945libgromacs_mpi.so.7.0.0 - bonded.cpp:129-2014 [...]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],...Outermost0.150.130.085277.002.877.481.291.1814.291.63NANANANANA
5129libgromacs_mpi.so.7.0.0 - threaded_force_buffer.cpp:207-211 [...]L__ZN17_INTERNALd056bbd43gmx12_GLOBAL__N_124reduceThreadForceBuffersIA4_fEEvNS0_8ArrayRefINS0_11BasicVectorIfEEEENS4_ISt10unique_ptrINS0_17ThreadForceBufferIT_EESt14default_deleteISB_EEEENS4_IKSt5arrayImLm2EEEENS4_IKiEE_170__par_region0_2_127InBetween0.150.130.085252.1306.251.581.58161.63NANANANANA
5127libgromacs_mpi.so.7.0.0 - threaded_force_buffer.cpp:182-187 [...]L__ZN17_INTERNALd056bbd43gmx12_GLOBAL__N_124reduceThreadForceBuffersIA4_fEEvNS0_8ArrayRefINS0_11BasicVectorIfEEEENS4_ISt10unique_ptrINS0_17ThreadForceBufferIT_EESt14default_deleteISB_EEEENS4_IKSt5arrayImLm2EEEENS4_IKiEE_170__par_region0_2_127Innermost0.140.140.08525.005018.232.4119.3222101.50
18657libgromacs_mpi.so.7.0.0 - lincs.cpp:919-930 [...]_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*)Single0.140.160.0852192.0010092.37111215002
21806libgromacs_mpi.so.7.0.0 - fft5d.cpp:835-886 [...]fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.130.110.07520.0008.611114.871.57NANANANANA
19100libgromacs_mpi.so.7.0.0 - settle.cpp:423-649 [...]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...Single0.120.10.06521290.6799.0298.91.08111.6730020
995libgromacs_mpi.so.7.0.0 - kernel_outer.h:541-544 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.120.110.07521924.5798.8895.811.01111.8330132
21637libgromacs_mpi.so.7.0.0 - pme_solve.cpp:98-561 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Outermost0.120.090.0652929.1746.0848.272.781.031.381.5NANANANANA
18774libgromacs_mpi.so.7.0.0 - md_support.cpp:139-157 [...]L__ZN17_INTERNAL727fa8dd19calc_ke_part_normalEN3gmx8ArrayRefIKNS0_11BasicVectorIfEEEEPK9t_grpoptsPK9t_mdatomsP14gmx_ekindata_tP6t_nrnbb_113__par_region0_2_11Innermost0.110.10.0652121.671.757.041.171.4218.461.67NANANANANA
1596libgromacs_mpi.so.7.0.0 - atomdata.cpp:1109-1221 [...]L__ZN17_INTERNALa817b2b737nbnxn_atomdata_add_nbat_f_to_f_reduceEP16nbnxn_atomdata_ti_1188__par_region0_2_51Innermost0.110.530.062142.671001001113.5301001
989libgromacs_mpi.so.7.0.0 - stl_iterator.h:1107-1240 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Outermost0.10.10.06521462.6769.3464.451.451.031.352NANANANANA
19165libgromacs_mpi.so.7.0.0 - sim_util.cpp:473-473 [...]L__ZN17_INTERNALc686538717setupForceOutputsEP18ForceHelperBuffersN3gmx19ArrayRefWithPaddingINS2_11BasicVectorIfEEEERKNS2_22DomainLifetimeWorkloadERKNS2_12StepWorkloadEbP13gmx_wallcycle_473__par_region0_2_126Single0.10.090.05520.0006.2511161.801000
993libgromacs_mpi.so.7.0.0 - kernel_outer.h:559-562 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.10.140.05522803.2099.0196.281.01112.830132
2692libgromacs_mpi.so.7.0.0 - pairlist_simd_2xmm.h:185-231 [...]_INTERNALb293ce76::makeClusterListSimd2xnn(Nbnxm::Grid const&, NbnxnPairlistCpu*, int, int, int, bool, float const*, float, float, int*)Single0.10.090.0652239.3374.8539.031.321.161.761.83.5000.51
21740libgromacs_mpi.so.7.0.0 - pme_spread.cpp:524-641 [...]_INTERNALae0e43be::reduce_threadgrid_overlap(gmx_pme_t const*, pmegrids_t const*, int, float*, float*, float*, int)InBetween0.090.090.055210.0006.2511161.8NANANANANA
20932libgromacs_mpi.so.7.0.0 - bonded.cpp:445-1084 [...]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]...Single0.090.10.0552125.006.48.371.062.2914.2322015.50
19308libgromacs_mpi.so.7.0.0 - update.cpp:361-387 [...]_INTERNAL568e5334::do_update_md(int, int, float, long, float const (*) [3], float (*) [3], float (*) [3], float const (*) [3], TemperatureCoupling, PressureCoupling, int, int, gmx::ArrayRef<unsigned short const>, bool, gmx::ArrayRef<unsigned short...Single0.080.080.045269.5006.251.121.4216206010
990libgromacs_mpi.so.7.0.0 - kernel_outer.h:581-581 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.080.090.04492296.0010093.581112.2520121
984libgromacs_mpi.so.7.0.0 - kernel_outer.h:575-578 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.070.090.04471586.0098.8290.661.03112.2530221
1593libgromacs_mpi.so.7.0.0 - atomdata.cpp:1119-1221 [...]L__ZN17_INTERNALa817b2b737nbnxn_atomdata_add_nbat_f_to_f_reduceEP16nbnxn_atomdata_ti_1188__par_region0_2_51InBetween0.070.10.044832.004045.631.8211.142.503000
21813libgromacs_mpi.so.7.0.0 - fft5d.cpp:899-1382 [...]fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.070.060.04520.0007.51115.692NANANANANA
21465libgromacs_mpi.so.7.0.0 - pme_grid.cpp:537-539unwrap_periodic_pmegrid(gmx_pme_t*, float*)Innermost0.070.070.04520.0006.2511161.7502000
21713libgromacs_mpi.so.7.0.0 - pme_spread.cpp:441-445L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_1010__par_region4_2_4Innermost0.070.070.04520.0007.811114.671.7510000
21711libgromacs_mpi.so.7.0.0 - pme_spread.cpp:438-447L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_1010__par_region4_2_4InBetween0.070.070.04520.0006.811115.612.3310000
21714libgromacs_mpi.so.7.0.0 - pme_spread.cpp:188-199 [...]L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_1010__par_region4_2_4InBetween0.070.090.04520.0007.391115.362.25NANANANANA
3697libgromacs_mpi.so.7.0.0 - domdec_constraints.cpp:234-282 [...]_INTERNAL051658ea::atoms_to_settles(gmx_domdec_t*, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::ArrayRef<std::vector<int, std::allocator<int> > const>, int, int, InteractionList*, std::vector<int, std::allocator<int&...Outermost0.060.060.03500.005.3311.922.87113.192NANANANANA
128gmx_mpi - __intel_skx_avx512_memsetSingle0.060.10.03490.001001001112.501000
1591libgromacs_mpi.so.7.0.0 - atomdata.cpp:1053-1221 [...]L__ZN17_INTERNALa817b2b737nbnxn_atomdata_add_nbat_f_to_f_reduceEP16nbnxn_atomdata_ti_1188__par_region0_2_51InBetween0.050.060.035258.674.559.521139.52NANANANANA
2703libgromacs_mpi.so.7.0.0 - iterator_interface.hpp:459-459 [...]_INTERNALb293ce76::setExclusionsForIEntry(Nbnxm::GridSet const&, NbnxnPairlistCpu*, bool, int, nbnxn_ci_t const&, gmx::ListOfLists<int> const&)InBetween0.050.060.03500.0007.351115.022NANANANANA
2691libgromacs_mpi.so.7.0.0 - pairlist_simd_2xmm.h:237-242 [...]_INTERNALb293ce76::makeClusterListSimd2xnn(Nbnxm::Grid const&, NbnxnPairlistCpu*, int, int, int, bool, float const*, float, float, int*)Single0.050.050.0352225.335.888.821113.622.5NANANANANA
21659libgromacs_mpi.so.7.0.0 - pme_solve.cpp:457-470solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.040.040.0252195.5013.648.811.081.0814.29217000
2673libgromacs_mpi.so.7.0.0 - pairlist.cpp:3392-3396 [...]void _INTERNALb293ce76::nbnxn_make_pairlist_part<NbnxnPairlistCpu>(Nbnxm::GridSet const&, Nbnxm::Grid const&, Nbnxm::Grid const&, PairsearchWork*, nbnxn_atomdata_t const*, gmx::ListOfLists<int> const&, float, PairlistType, int, ...Innermost0.040.040.025121.0006.251.291.3316200001
21808libgromacs_mpi.so.7.0.0 - fft5d.cpp:884-886fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.040.090.02460.00012.5118300020
21643libgromacs_mpi.so.7.0.0 - pme_solve.cpp:234-238 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.040.070.02521768.001001001.2113.523000
21464libgromacs_mpi.so.7.0.0 - pme_grid.cpp:496-539 [...]unwrap_periodic_pmegrid(gmx_pme_t*, float*)InBetween0.040.050.02470.0006.581115.671.67NANANANANA
21437libgromacs_mpi.so.7.0.0 - pme_grid.cpp:395-404copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)Innermost0.040.040.02520.0008.59119.17210000
5253libgromacs_mpi.so.7.0.0 - threaded_force_buffer.cpp:78-80 [...]gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()Outermost0.040.060.02490.0045.4540.341.7411.173NANANANANA
21660libgromacs_mpi.so.7.0.0 - pme_solve.cpp:441-454solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.040.050.0252180.5014.298.931.041.0414.222.517000
21712libgromacs_mpi.so.7.0.0 - pme_spread.cpp:441-445L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_1010__par_region4_2_4Innermost0.040.060.02520.0008.651115310000
21128libgromacs_mpi.so.7.0.0 - manage_threading.cpp:127-170 [...]_INTERNAL6f8e2c7b::divide_bondeds_over_threads(bonded_threading_t*, bool, InteractionDefinitions const&)InBetween0.0410.0210.0074.7572.291.0411.041NANANANANA
17834libgromacs_mpi.so.7.0.0 - calc_verletbuf.cpp:530-721 [...]_INTERNALc226143a::energyDrift(gmx::ArrayRef<VerletbufAtomtype const>, gmx_ffparams_t const*, float, pot_derivatives_t const*, pot_derivatives_t const*, pot_derivatives_t const*, float, float, float, float)Innermost0.030.810.02177.006.839.111.772.421NANANANANA
17904libgromacs_mpi.so.7.0.0 - calcvir.cpp:61-81 [...]_Z8calc_viriPA3_KfS1_PA3_fbS1#omp_region_0Innermost0.030.040.0252124.0006.251.191.241621.50200
18780libgromacs_mpi.so.7.0.0 - mdatoms.cpp:328-497 [...]atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*)InBetween0.030.040.02510.5018.3511.472.272.918.072NANANANANA
3911libgromacs_mpi.so.7.0.0 - iterator_interface.hpp:459-459 [...]void _INTERNAL80d859f8::make_exclusions_zone<true>(gmx::ArrayRef<int const>, gmx_ga2la_t const&, gmx_domdec_zones_t const&, gmx::ArrayRef<MolblockIndices const>, std::vector<gmx_moltype_t, std::allocator<gmx_moltype_t> &g...InBetween0.030.040.02500.0008.791136.572NANANANANA
2821libgromacs_mpi.so.7.0.0 - pairlist.cpp:3624-3624 [...]void _INTERNALb293ce76::copySelectedListRange<false>(nbnxn_ci_t const*, NbnxnPairlistCpu const*, NbnxnPairlistCpu*, std::array<unsigned long, 2ul>*, int, int, int)InBetween0.030.040.01460.0018.623.843.1511.382NANANANANA
2680libgromacs_mpi.so.7.0.0 - pairlist.cpp:1981-1985 [...]_INTERNALb293ce76::closeIEntry(NbnxnPairlistCpu*, int, bool, float, int, int)Single0.030.040.01500.0006.25111640.510.500
3941libgromacs_mpi.so.7.0.0 - localtopology.cpp:416-576 [...]int _INTERNAL80d859f8::assignInteractionsForAtom<true>(AtomIndexSet const&, reverse_ilist_t const&, gmx_ga2la_t const&, gmx_domdec_zones_t const&, bool, int const*, bool, float, t_pbc const*, gmx::ArrayRef<gmx::BasicVector<float...Outermost0.030.050.02420.002.9210.464.45117.942.5NANANANANA
18643libgromacs_mpi.so.7.0.0 - lincs.cpp:1155-1155 [...]_INTERNAL1bba7552::gmx::do_lincs(_INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector<float> const>, _INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector<float> >, float const (*...Innermost0.030.040.025096.00100100111204000
19168libgromacs_mpi.so.7.0.0 - sim_util.cpp:150-150 [...]_INTERNALc6865387::postProcessForces(t_commrec const*, long, t_nrnb*, gmx_wallcycle*, float const (*) [3], gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ForceOutputs*, float (*) [3], t_mdatoms const*, t_forcerec const*, gmx::VirtualSitesHa...Single0.030.060.025219.5006.251.071.2516302000
21650libgromacs_mpi.so.7.0.0 - pme_solve.cpp:499-511solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.020.040.01501584.0010091.03111.16416000
2681libgromacs_mpi.so.7.0.0 - pairlist.cpp:1991-1995 [...]_INTERNALb293ce76::closeIEntry(NbnxnPairlistCpu*, int, bool, float, int, int)Single0.020.030.01470.0006.25111630.50.5100
20857libgromacs_mpi.so.7.0.0 - bonded.cpp:2179-2256 [...]std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNALc075c6e4::(anonymous namespace)::rbdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc co...Single0.020.040.0130124.0012.7715.352.8213.112NANANANANA
2669libgromacs_mpi.so.7.0.0 - pairlist.cpp:2223-3507 [...]void _INTERNALb293ce76::nbnxn_make_pairlist_part<NbnxnPairlistCpu>(Nbnxm::GridSet const&, Nbnxm::Grid const&, Nbnxm::Grid const&, PairsearchWork*, nbnxn_atomdata_t const*, gmx::ListOfLists<int> const&, float, PairlistType, int, ...InBetween0.020.030.014815.004.828.133.082.0814.53NANANANANA
2670libgromacs_mpi.so.7.0.0 - pairlist.cpp:2966-3474 [...]void _INTERNALb293ce76::nbnxn_make_pairlist_part<NbnxnPairlistCpu>(Nbnxm::GridSet const&, Nbnxm::Grid const&, Nbnxm::Grid const&, PairsearchWork*, nbnxn_atomdata_t const*, gmx::ListOfLists<int> const&, float, PairlistType, int, ...InBetween0.020.040.01446.005.267.41.562.1164NANANANANA
5128libgromacs_mpi.so.7.0.0 - threaded_force_buffer.cpp:200-200 [...]L__ZN17_INTERNALd056bbd43gmx12_GLOBAL__N_124reduceThreadForceBuffersIA4_fEEvNS0_8ArrayRefINS0_11BasicVectorIfEEEENS4_ISt10unique_ptrINS0_17ThreadForceBufferIT_EESt14default_deleteISB_EEEENS4_IKSt5arrayImLm2EEEENS4_IKiEE_170__par_region0_2_127Innermost0.020.040.013422.0006.251.331.6716400400
2702libgromacs_mpi.so.7.0.0 - pairlist.cpp:607-1420 [...]_INTERNALb293ce76::setExclusionsForIEntry(Nbnxm::GridSet const&, NbnxnPairlistCpu*, bool, int, nbnxn_ci_t const&, gmx::ListOfLists<int> const&)Outermost0.020.020.01420.0009.381114.442NANANANANA
18645libgromacs_mpi.so.7.0.0 - lincs.cpp:1085-1089 [...]_INTERNAL1bba7552::gmx::do_lincs(_INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector<float> const>, _INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector<float> >, float const (*...Outermost0.020.020.015288.00012.511820210.50
2701libgromacs_mpi.so.7.0.0 - pairlist.cpp:3008-3008 [...]_INTERNALb293ce76::setBufferFlags(NbnxnPairlistCpu const&, int, int, std::array<unsigned long, 2ul>*, int)Single0.020.030.01440.00012.5118301100
1994libgromacs_mpi.so.7.0.0 - grid.cpp:415-420_INTERNAL5ce61142::Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>)Single0.020.030.01340.0006.2511163010.250.50
19099libgromacs_mpi.so.7.0.0 - settle.cpp:423-674 [...]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*...Outermost0.020.020.0149720.0098.7598.671.0811231030
21639libgromacs_mpi.so.7.0.0 - pme_solve.cpp:555-561solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.020.030.0149640.0010087.5111.1302000
2815libgromacs_mpi.so.7.0.0 - pairlist.cpp:3624-3635 [...]void _INTERNALb293ce76::copySelectedListRange<true>(nbnxn_ci_t const*, NbnxnPairlistCpu const*, NbnxnPairlistCpu*, std::array<unsigned long, 2ul>*, int, int, int)InBetween0.020.020.01370.0013.1120.393.3611.442NANANANANA
21647libgromacs_mpi.so.7.0.0 - pme_solve.cpp:522-531solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.020.030.014571.00100100111303000
21783libgromacs_mpi.so.7.0.0 - fft.cpp:115-123gmx_fft_many_1d(gmx_fft*, gmx_fft_direction, void*, void*)Single0.020.030.01521040.000101114.86310000
20860libgromacs_mpi.so.7.0.0 - bonded.cpp:1822-2327 [...]float _INTERNALc075c6e4::(anonymous namespace)::idihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*, gmx::ArrayRef<float const>, t_fcdata*, t_disresdata*...Single0.020.060.0128100.004.018.321.291.9313.71321130
2704libgromacs_mpi.so.7.0.0 - pairlist.cpp:607-1332 [...]_INTERNALb293ce76::setExclusionsForIEntry(Nbnxm::GridSet const&, NbnxnPairlistCpu*, bool, int, nbnxn_ci_t const&, gmx::ListOfLists<int> const&)Innermost0.020.030.01430.0006.251116300010
3907libgromacs_mpi.so.7.0.0 - localtopology.cpp:731-787 [...]void _INTERNAL80d859f8::make_exclusions_zone<true>(gmx::ArrayRef<int const>, gmx_ga2la_t const&, gmx_domdec_zones_t const&, gmx::ArrayRef<MolblockIndices const>, std::vector<gmx_moltype_t, std::allocator<gmx_moltype_t> &g...InBetween0.020.030.01450.00011.011113.743NANANANANA
20947libgromacs_mpi.so.7.0.0 - bonded.cpp:129-3032 [...]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]...Single0.020.060.012785.005.587.771.241.2913.943NANANANANA
2005libgromacs_mpi.so.7.0.0 - grid.cpp:1241-1311 [...]Nbnxm::Grid::calcColumnIndices(Nbnxm::Grid::Dimensions const&, gmx::UpdateGroupsCog const*, gmx::Range<int>, gmx::ArrayRef<gmx::BasicVector<float> const>, int, int const*, int, int, gmx::ArrayRef<int>, gmx::ArrayRef<int>)Single0.010.010280.0007.352.422.7814.911NANANANANA
5233libgromacs_mpi.so.7.0.0 - threaded_force_buffer.cpp:122-122 [...]gmx::ThreadForceBuffer<float [4]>::resizeBufferAndClearMask(int)Single0.010.020250.00012.5118201000
21121libgromacs_mpi.so.7.0.0 - manage_threading.cpp:365-367 [...]setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&)Innermost0.010.020290.00012.5118201001
18637libgromacs_mpi.so.7.0.0 - lincs.cpp:1215-1223 [...]_INTERNAL1bba7552::gmx::do_lincs(_INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector<float> const>, _INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector<float> >, float const (*...Single0.010.020.014882.00471.031.0814.5222100
1579libgromacs_mpi.so.7.0.0 - atomdata.cpp:226-236copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)Single0.010.020.01290.0006.251116201200
21103libgromacs_mpi.so.7.0.0 - listed_forces.cpp:419-445 [...]_INTERNAL01945b58::calcBondedForces(InteractionDefinitions const&, bonded_threading_t*, float const (*) [3], t_forcerec const*, t_pbc const*, float (*) [3], gmx_enerdata_t*, t_nrnb*, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, t_mdato...Innermost0.010.020.01351.0011.4312.724.381.168.422NANANANANA
1983libgromacs_mpi.so.7.0.0 - grid.cpp:823-834_INTERNAL5ce61142::Nbnxm::sort_cluster_on_flag(int, int, int, gmx::ArrayRef<long const>, gmx::ArrayRef<int>, int*)Innermost0.010.010210.0007.741114.9102001
5287libgromacs_mpi.so.7.0.0 - threaded_force_buffer.cpp:278-280 [...]gmx::ThreadedForceBuffer<float [4]>::setupReduction()Innermost0.010.330.0110.0029.0916.14316122004
21733libgromacs_mpi.so.7.0.0 - pme_spread.cpp:523-702 [...]_INTERNALae0e43be::reduce_threadgrid_overlap(gmx_pme_t const*, pmegrids_t const*, int, float*, float*, float*, int)InBetween0.010.010280.002.359.7112.511.431NANANANANA
3962libgromacs_mpi.so.7.0.0 - range.h:84-88 [...]int _INTERNAL80d859f8::make_bondeds_zone<true>(gmx_reverse_top_t const&, gmx::ArrayRef<int const>, gmx_ga2la_t const&, gmx_domdec_zones_t const&, std::vector<gmx_molblock_t, std::allocator<gmx_molblock_t> > const&, b...Outermost0.010.020240.008.79.787.78111.432NANANANANA
4185libgromacs_mpi.so.7.0.0 - partition.cpp:525-533 [...]_INTERNAL83cfe191::make_dd_indices(gmx_domdec_t*, int)InBetween0.010.15010.004.5510.531112.161NANANANANA
18644libgromacs_mpi.so.7.0.0 - lincs.cpp:1098-1098 [...]_INTERNAL1bba7552::gmx::do_lincs(_INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector<float> const>, _INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector<float> >, float const (*...Single0.010.020310.00100100111203000
2667libgromacs_mpi.so.7.0.0 - pairlist.cpp:2223-3507 [...]void _INTERNALb293ce76::nbnxn_make_pairlist_part<NbnxnPairlistCpu>(Nbnxm::GridSet const&, Nbnxm::Grid const&, Nbnxm::Grid const&, PairsearchWork*, nbnxn_atomdata_t const*, gmx::ListOfLists<int> const&, float, PairlistType, int, ...InBetween0.010.020230.0010.818.951.741.5215.112NANANANANA
19163libgromacs_mpi.so.7.0.0 - sim_util.cpp:473-473 [...]L__ZN17_INTERNALc686538717setupForceOutputsEP18ForceHelperBuffersN3gmx19ArrayRefWithPaddingINS2_11BasicVectorIfEEEERKNS2_22DomainLifetimeWorkloadERKNS2_12StepWorkloadEbP13gmx_wallcycle_473__par_region4_2_128Single0.010.020.01420.0006.251116201000
21805libgromacs_mpi.so.7.0.0 - fft5d.cpp:835-886 [...]fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.010.040.01280.0006.671115.364NANANANANA
991libgromacs_mpi.so.7.0.0 - kernel_outer.h:575-578 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.010.020360.0099.1493.16111230221
1569libgromacs_mpi.so.7.0.0 - atomdata.cpp:1006-1011 [...]L__Z31nbnxn_atomdata_copy_x_to_nbat_xRKN5Nbnxm7GridSetEN3gmx12AtomLocalityEPA3_KfP16nbnxn_atomdata_t_993__par_region0_2_45Innermost0.010.010270.0009.821113.71132113
20946libgromacs_mpi.so.7.0.0 - bonded.cpp:1914-2008 [...]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],...Innermost0.010.020.014236.007.848.71.121.5813.71231010
21784libgromacs_mpi.so.7.0.0 - fft.cpp:132-140gmx_fft_many_1d_real(gmx_fft*, gmx_fft_direction, void*, void*)Single0.010.020450.000101114.86010000
21867libgromacs_mpi.so.7.0.0 - fft_mkl.cpp:483-506 [...]gmx_fft_1d_real(gmx_fft*, gmx_fft_direction, void*, void*)Single0.010.010370.0001011161NANANANANA
3712libgromacs_mpi.so.7.0.0 - iterator_interface.hpp:459-459 [...]_INTERNAL051658ea::atoms_to_constraints(gmx_domdec_t*, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::ListOfLists<int> const>, int, InteractionList*, std::vector<int, std::allocator<int> >*)InBetween0.010.15010.003.2511.043.93110.421NANANANANA
2682libgromacs_mpi.so.7.0.0 - pairlist.cpp:1998-2000_INTERNALb293ce76::closeIEntry(NbnxnPairlistCpu*, int, bool, float, int, int)Single0.010.010310.0006.251116101010
18666libgromacs_mpi.so.7.0.0 - lincs.cpp:1255-1324 [...]_INTERNAL1bba7552::gmx::set_lincs_matrix_task(_INTERNAL1bba7552::gmx::Lincs*, _INTERNAL1bba7552::gmx::Task*, _INTERNAL1bba7552::gmx::ArrayRef<float const>, int*, int*)InBetween0.010.010280.004.357.882.642.4315.131NANANANANA
3698libgromacs_mpi.so.7.0.0 - domdec_constraints.cpp:254-264 [...]_INTERNAL051658ea::atoms_to_settles(gmx_domdec_t*, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::ArrayRef<std::vector<int, std::allocator<int> > const>, int, int, InteractionList*, std::vector<int, std::allocator<int&...InBetween0.010.020.01360.0007.6411152NANANANANA
3950libgromacs_mpi.so.7.0.0 - localtopology.cpp:505-513 [...]int _INTERNAL80d859f8::assignInteractionsForAtom<true>(AtomIndexSet const&, reverse_ilist_t const&, gmx_ga2la_t const&, gmx_domdec_zones_t const&, bool, int const*, bool, float, t_pbc const*, gmx::ArrayRef<gmx::BasicVector<float...InBetween0.010.030270.0006.2511163NANANANANA
3711libgromacs_mpi.so.7.0.0 - domdec_constraints.cpp:314-375 [...]_INTERNAL051658ea::atoms_to_constraints(gmx_domdec_t*, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::ListOfLists<int> const>, int, InteractionList*, std::vector<int, std::allocator<int> >*)Outermost0.010.16010.0008.851114.381NANANANANA
4134libgromacs_mpi.so.7.0.0 - iterator_interface.hpp:459-459 [...]void _INTERNAL83cfe191::orderVector<gmx::BasicVector<float> >(gmx::ArrayRef<gmx_cgsort const>, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >)Single0.010.18010.0008.241115.13101210
5126libgromacs_mpi.so.7.0.0 - threaded_force_buffer.cpp:171-211 [...]L__ZN17_INTERNALd056bbd43gmx12_GLOBAL__N_124reduceThreadForceBuffersIA4_fEEvNS0_8ArrayRefINS0_11BasicVectorIfEEEENS4_ISt10unique_ptrINS0_17ThreadForceBufferIT_EESt14default_deleteISB_EEEENS4_IKSt5arrayImLm2EEEENS4_IKiEE_170__par_region0_2_127Outermost0.010.020.013313.0009.211113.612NANANANANA
1496libgromacs_mpi.so.7.0.0 - kernel_prune.cpp:76-158 [...]nbnxn_kernel_prune_2xnn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)Outermost0.010.030.01511728.0034.8830.941.6711.6730.51.50.530.5
5252libgromacs_mpi.so.7.0.0 - stl_algobase.h:909-910gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()Single0.010.020260.0006.251116201000
2874libgromacs_mpi.so.7.0.0 - stl_algobase.h:909-910std::vector<std::array<unsigned long, 2ul>, std::allocator<std::array<unsigned long, 2ul> > >::_M_fill_insert(__gnu_cxx::__normal_iterator<std::array<unsigned long, 2ul>*, std::vector<std::array<unsigned long, 2ul>...Single0.010.030.01340.00012.5118301000
21644libgromacs_mpi.so.7.0.0 - pme_solve.cpp:534-543solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.010.020.01522224.00100100111203000
18682libgromacs_mpi.so.7.0.0 - lincs.cpp:1652-1658 [...]L__ZN17_INTERNAL1bba75523gmx18lincs_thread_setupEPNS0_5LincsEi_1695__par_region2_2_84Innermost0.010.030.01370.00010.941113.463NANANANANA
18685libgromacs_mpi.so.7.0.0 - lincs.cpp:1936-1962 [...]_INTERNAL1bba7552::gmx::set_matrix_indices(_INTERNAL1bba7552::gmx::Lincs*, _INTERNAL1bba7552::gmx::Task const&, _INTERNAL1bba7552::gmx::ListOfLists<int> const&, bool)Outermost0.010.010200.00NANANANANA1NANANANANA
18684libgromacs_mpi.so.7.0.0 - stl_iterator.h:1240-1240 [...]L__ZN17_INTERNAL1bba75523gmx18lincs_thread_setupEPNS0_5LincsEi_1695__par_region2_2_84Innermost0.010.020270.00010.711113.432NANANANANA
1595libgromacs_mpi.so.7.0.0 - atomdata.cpp:1106-1221 [...]L__ZN17_INTERNALa817b2b737nbnxn_atomdata_add_nbat_f_to_f_reduceEP16nbnxn_atomdata_ti_1188__par_region0_2_51InBetween0.010.040160.004045.631.8211.14402000
3703libgromacs_mpi.so.7.0.0 - new_allocator.h:120-126 [...]_INTERNAL051658ea::atoms_to_settles(gmx_domdec_t*, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::ArrayRef<std::vector<int, std::allocator<int> > const>, int, int, InteractionList*, std::vector<int, std::allocator<int&...InBetween0.010.030140.008.8213.6117.573NANANANANA
2827libgromacs_mpi.so.7.0.0 - pairlist.cpp:3543-3546 [...]_INTERNALb293ce76::reduce_buffer_flags(gmx::ArrayRef<PairsearchWork>, int, gmx::ArrayRef<std::array<unsigned long, 2ul> >)Innermost0.010.15010.00012.5118102000
21794libgromacs_mpi.so.7.0.0 - fft5d.cpp:786-1420 [...]fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Outermost0.010.020.01430.0008.07119.042NANANANANA
1991libgromacs_mpi.so.7.0.0 - grid.cpp:329-408 [...]_INTERNAL5ce61142::Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>)Outermost0.010.020200.0007.292.592.3814.932NANANANANA
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