options

Loops Index

85 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 1x1 (%) Max Time Over Threads 1x1 (s) Time w.r.t. Wall Time 1x1 (s) Nb Threads 1x1 GFLOPS 1x1 Vectorization Ratio (%) Vector Length Use (%) Speedup If No Scalar Integer Speedup If FP Vectorized Speedup If Fully Vectorized Speedup If Perfect Load Balancing 1x1 Stride 0 Stride 1 Stride n Stride Unknown Stride Indirect
Loop idSource LocationSource FunctionLevelCoverage 1x1 (%)Max Time Over Threads 1x1 (s)Time w.r.t. Wall Time 1x1 (s)Nb Threads 1x1GFLOPS 1x1Vectorization Ratio (%)Vector Length Use (%)Speedup If No Scalar IntegerSpeedup If FP VectorizedSpeedup If Fully VectorizedSpeedup If Perfect Load Balancing 1x1Stride 0Stride 1Stride nStride UnknownStride Indirect
1019libgromacs_mpi.so.7 - kernel_outer.h:590-590 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost39.69115.53115.53166.83100100111120124
1017libgromacs_mpi.so.7 - kernel_outer.h:608-608 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost16.7248.6648.66161.03100100111120124
1026libgromacs_mpi.so.7 - kernel_outer.h:590-590 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost6.0917.7417.74174.84100100111120124
23046libgromacs_mpi.so.7 - pme_spread.cpp:331-400 [...]_INTERNALef3c2910::spread_coefficients_bsplines_thread(pmegrid_t const*, PmeAtomComm const*, splinedata_t*, pme_spline_work*)Outermost2.537.367.3619.8460.8736.961.771.573.781NANANANANA
1024libgromacs_mpi.so.7 - kernel_outer.h:608-608 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost2.457.137.13174.12100100111120124
22649libgromacs_mpi.so.7 - pme_gather.cpp:156-169 [...]gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)Innermost1.975.725.72127.6888.8979.17111.08102040
1020libgromacs_mpi.so.7 - kernel_outer.h:584-587 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost1.785.185.18166.2498.9699.13111120172
1018libgromacs_mpi.so.7 - kernel_outer.h:602-605 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost1.614.684.68163.4499.0599.17111131142
23034libgromacs_mpi.so.7 - pme_spread.cpp:275-292 [...]_INTERNALef3c2910::make_bsplines(float**, float**, int, float (*) [3], int, int const*, float const*, bool)Outermost1.584.614.61110.9326.6222.321.231.776.61NANANANANA
1014libgromacs_mpi.so.7 - stl_iterator.h:806-887 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Outermost1.44.084.08161.9977.3878.511.11.161.381NANANANANA
22650libgromacs_mpi.so.7 - pme_gather.cpp:76-348 [...]gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)Outermost1.333.883.88127.9433.3327.472.211.495.71NANANANANA
1498libgromacs_mpi.so.7 - kernel_prune.cpp:115-169 [...]nbnxn_kernel_prune_4xn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)Innermost1.213.533.53147.9293.1894.031.061.331.4110111
1015libgromacs_mpi.so.7 - kernel_outer.h:624-624 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost12.922.92160.80100100111120123
19727libgromacs_mpi.so.7 - lincs.cpp:282-284_INTERNAL661916bb::gmx::lincs_matrix_expand(_INTERNAL661916bb::gmx::Lincs const&, _INTERNAL661916bb::gmx::Task const&, _INTERNAL661916bb::gmx::ArrayRef<float const>, _INTERNAL661916bb::gmx::ArrayRef<float>, _INTERNAL661916bb::gmx::Array...Innermost0.972.822.8212.19012.512.918102001
22435libgromacs_mpi.so.7 - pairs.cpp:863-894 [...]void _INTERNAL251c4d10::do_pairs_simple<gmx::SimdFloat, 8, float const*>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float const*, gmx::ArrayRef<float>, float)Single0.571.671.6716.4254.8842.911.5811.381NANANANANA
19726libgromacs_mpi.so.7 - lincs.cpp:276-287_INTERNAL661916bb::gmx::lincs_matrix_expand(_INTERNAL661916bb::gmx::Lincs const&, _INTERNAL661916bb::gmx::Task const&, _INTERNAL661916bb::gmx::ArrayRef<float const>, _INTERNAL661916bb::gmx::ArrayRef<float>, _INTERNAL661916bb::gmx::Array...InBetween0.521.51.512.202528.692.371.031.431NANANANANA
23013libgromacs_mpi.so.7 - pme_spread.cpp:104-133 [...]_INTERNALef3c2910::calc_interpolation_idx(gmx_pme_t const*, PmeAtomComm*, int, int, int, int)Single0.491.441.4416.483.1313.671.221.78113005
22146libgromacs_mpi.so.7 - bonded.cpp:1151-1255 [...]std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNAL72b35b0f::(anonymous namespace)::angles<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc co...Single0.491.431.43114.9672.1468.851.511.221NANANANANA
20236libgromacs_mpi.so.7 - settle.cpp:423-649 [...]void _INTERNALa35aedc8::gmx::settleTemplate<_INTERNALa35aedc8::gmx::SimdFloat, _INTERNALa35aedc8::gmx::SimdFBool, 8, float const*, true, false>(_INTERNALa35aedc8::gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*...Single0.471.381.38112.4796.5688.411.1211.081200160
19732libgromacs_mpi.so.7 - lincs.cpp:368-383_INTERNAL661916bb::gmx::lincs_update_atoms_noind(int, _INTERNAL661916bb::gmx::ArrayRef<_INTERNAL661916bb::gmx::AtomPair const>, float, _INTERNAL661916bb::gmx::ArrayRef<float const>, _INTERNAL661916bb::gmx::ArrayRef<_INTERNAL661916bb::gmx::Ba...Single0.451.311.3115.58012.511.18103040
3305libgromacs_mpi.so.7 - pairlist_simd_4xm.h:136-195 [...]_INTERNALb629d8fd::makeClusterListSimd4xn(Nbnxm::Grid const&, NbnxnPairlistCpu*, int, int, int, bool, float const*, float, float, int*)Single0.431.251.2515.6376.7159.011.091.151.4713100.50
22155libgromacs_mpi.so.7 - bonded.cpp:2059-2126 [...]std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNAL72b35b0f::(anonymous namespace)::pdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc con...Single0.351.011.01120.3732.8437.751.781.031.831NANANANANA
19735libgromacs_mpi.so.7 - lincs.cpp:798-828 [...]_INTERNAL661916bb::gmx::__regcall3__calc_dr_x_xp_simd(int, int, _INTERNAL661916bb::gmx::ArrayRef<_INTERNAL661916bb::gmx::AtomPair const>, float const (*) [3], float const (*) [3], float const*, float const*, float const*, float (*) [3], float*, floa...Single0.340.980.9818.1891.9170.771.3311.191102390
20503libgromacs_mpi.so.7 - 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 _INTERNALf921b9f2::updateMDLeapfrogSimpleSimd<(StoreUpdatedVelocities)0, float [3]>(int, int, float, gmx::ArrayRe...Single0.310.90.918.4810098.28111.04105000
1027libgromacs_mpi.so.7 - kernel_outer.h:584-587 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.30.870.87174.4899.2999.4111120172
3281libgromacs_mpi.so.7 - pairlist.cpp:3407-3411void _INTERNALb629d8fd::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, ...Innermost0.290.850.8515.62012.51.121.428100100
1025libgromacs_mpi.so.7 - kernel_outer.h:602-605 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.260.750.75174.0999.3899.46111131142
1021libgromacs_mpi.so.7 - stl_iterator.h:806-887 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Outermost0.240.70.7164.1872.2772.361.121.11.391NANANANANA
73gmx_mpi - __intel_avx_rep_memcpySingle0.230.670.6710.0010010011.51.5102000
22430libgromacs_mpi.so.7 - pairs.cpp:125-824 [...]float _INTERNAL251c4d10::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...Single0.220.640.6412.736.5716.461.511.268.441NANANANANA
3280libgromacs_mpi.so.7 - pairlist.cpp:2966-3474 [...]void _INTERNALb629d8fd::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, ...InBetween0.20.580.5815.423.5715.481.771.547.491NANANANANA
22218libgromacs_mpi.so.7 - bonded.cpp:129-2011 [...]std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNAL72b35b0f::(anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3],...Outermost0.190.560.5612.372.4314.811.151.126.861NANANANANA
19719libgromacs_mpi.so.7 - lincs.cpp:1087-1089 [...]_INTERNAL661916bb::gmx::do_lincs(_INTERNAL661916bb::gmx::ArrayRefWithPadding<_INTERNAL661916bb::gmx::BasicVector<float> const>, _INTERNAL661916bb::gmx::ArrayRefWithPadding<_INTERNAL661916bb::gmx::BasicVector<float> >, float const (*...Innermost0.180.510.5114.08012.511.4210.22113010
2245libgromacs_mpi.so.7 - atomdata.cpp:1173-1179 [...]_INTERNAL95fec573::nbnxn_atomdata_add_nbat_f_to_f_part(Nbnxm::GridSet const&, nbnxn_atomdata_t const&, nbnxn_atomdata_output_t const&, int, int, float (*) [3])Single0.170.50.511.76012.51.1118102010
2237libgromacs_mpi.so.7 - atomdata.cpp:226-236copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)Single0.160.460.4610.00012.5118101600
1022libgromacs_mpi.so.7 - kernel_outer.h:624-624 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.160.450.45159.12100100111120123
18872libgromacs_mpi.so.7 - calc_verletbuf.cpp:530-721 [...]_INTERNALcfff3329::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)Innermost0.160.460.4613.087.0518.2612.284.831NANANANANA
1016libgromacs_mpi.so.7 - kernel_outer.h:618-621 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.150.430.43155.6899.0799.19111131123
2753libgromacs_mpi.so.7 - iterator_interface.hpp:459-459 [...]clearForceBuffer(nbnxn_atomdata_t*, int)Single0.140.40.410.00021.88115.33101000
3304libgromacs_mpi.so.7 - pairlist_simd_4xm.h:204-262 [...]_INTERNALb629d8fd::makeClusterListSimd4xn(Nbnxm::Grid const&, NbnxnPairlistCpu*, int, int, int, bool, float const*, float, float, int*)Single0.140.40.414.5778.0359.221.061.151.4713000.51
22209libgromacs_mpi.so.7 - bonded.cpp:445-1084 [...]std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNAL72b35b0f::(anonymous namespace)::angles<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3]...Single0.120.330.3313.146.4616.5811.797.16120160
22910libgromacs_mpi.so.7 - pme_solve.cpp:234-238 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.10.30.3140.941001001.1211123000
19831libgromacs_mpi.so.7 - md_support.cpp:139-157 [...]L__ZN17_INTERNAL7742301e19calc_ke_part_normalEN3gmx8ArrayRefIKNS0_11BasicVectorIfEEEEPK9t_grpoptsPK9t_mdatomsP14gmx_ekindata_tP6t_nrnbb_113__par_region0_2_15Innermost0.10.290.2918.971.7514.091.11.259.741NANANANANA
19730libgromacs_mpi.so.7 - lincs.cpp:919-931 [...]_INTERNAL661916bb::gmx::__regcall3__calc_dist_iter_simd(int, int, _INTERNAL661916bb::gmx::ArrayRef<_INTERNAL661916bb::gmx::AtomPair const>, float const (*) [3], float const*, float const*, float const*, float, float*, float*, bool*)Single0.10.30.3116.3291.375.361.321.021.171110131
5823libgromacs_mpi.so.7 - threaded_force_buffer.cpp:200-200 [...]L__ZN17_INTERNALd56b7fc33gmx12_GLOBAL__N_124reduceThreadForceBuffersIA4_fEEvNS0_8ArrayRefINS0_11BasicVectorIfEEEENS4_ISt10unique_ptrINS0_17ThreadForceBufferIT_EESt14default_deleteISB_EEEENS4_IKSt5arrayImLm2EEEENS4_IKiEE_170__par_region0_2_134Innermost0.10.280.2811.48012.5118100400
22906libgromacs_mpi.so.7 - pme_solve.cpp:555-561solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.090.260.26142.4310070.83111.56102000
20300libgromacs_mpi.so.7 - iterator_interface.hpp:459-459 [...]_INTERNAL14e05f89::setupForceOutputs(ForceHelperBuffers*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::DomainLifetimeWorkload const&, gmx::StepWorkload const&, bool, gmx_wallcycle*)Single0.090.250.2510.00018.75116.86101000
19718libgromacs_mpi.so.7 - lincs.cpp:1085-1089 [...]_INTERNAL661916bb::gmx::do_lincs(_INTERNAL661916bb::gmx::ArrayRefWithPadding<_INTERNAL661916bb::gmx::BasicVector<float> const>, _INTERNAL661916bb::gmx::ArrayRefWithPadding<_INTERNAL661916bb::gmx::BasicVector<float> >, float const (*...Outermost0.080.220.2214.23012.51.722.1581NANANANANA
22932libgromacs_mpi.so.7 - pme_solve.cpp:457-470solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.080.230.23125.9714.2917.861210.67117000
22904libgromacs_mpi.so.7 - pme_solve.cpp:98-561 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Outermost0.080.230.23130.0513.520.831.921.721.551NANANANANA
20506libgromacs_mpi.so.7 - update.cpp:1637-1641 [...]L__ZN3gmx6Update4Impl13finish_updateERK10t_inputrecbiNS_8ArrayRefIKtEEP7t_stateP13gmx_wallcycleb_1637__par_region0_2_160Single0.070.190.1910.00018.75115.33100200
5944libgromacs_mpi.so.7 - stl_algobase.h:695-695gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()Innermost0.060.170.1710.00100100122101000
22912libgromacs_mpi.so.7 - pme_solve.cpp:534-543solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.060.180.18126.06100100111103000
22916libgromacs_mpi.so.7 - pme_solve.cpp:522-531solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.060.160.16117.50100100111103000
3282libgromacs_mpi.so.7 - pairlist.cpp:3392-3396void _INTERNALb629d8fd::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, ...Innermost0.060.180.1814.21012.51.121.428100100
20235libgromacs_mpi.so.7 - settle.cpp:423-674 [...]void _INTERNALa35aedc8::gmx::settleTemplate<_INTERNALa35aedc8::gmx::SimdFloat, _INTERNALa35aedc8::gmx::SimdFBool, 8, float const*, true, true>(_INTERNALa35aedc8::gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*,...Single0.050.160.16117.6799.2891.341.1811.061200180
20455libgromacs_mpi.so.7 - update.cpp:361-387 [...]_INTERNALf921b9f2::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...Single0.040.120.1217.09012.51.051.078.2106010
22933libgromacs_mpi.so.7 - pme_solve.cpp:441-454solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.040.120.12119.1515.7918.421210.67117000
3315libgromacs_mpi.so.7 - iterator_interface.hpp:459-459 [...]_INTERNALb629d8fd::setExclusionsForIEntry(Nbnxm::GridSet const&, NbnxnPairlistCpu*, bool, int, nbnxn_ci_t const&, gmx::ListOfLists<int> const&)InBetween0.040.120.1218.59013.16117.841NANANANANA
18945libgromacs_mpi.so.7 - calcvir.cpp:61-81 [...]calc_vir(int, float const (*) [3], float const (*) [3], float (*) [3], bool, float const (*) [3])Single0.040.10.1110.20012.512.65810.52000
4523libgromacs_mpi.so.7 - localtopology.cpp:416-576 [...]int _INTERNALd64f4cfb::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...Outermost0.040.10.110.003.1519.714.1919.311NANANANANA
19838libgromacs_mpi.so.7 - mdatoms.cpp:328-497 [...]atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*)InBetween0.030.090.0910.0019.8322.631.62.326.921NANANANANA
22705libgromacs_mpi.so.7 - pme_grid.cpp:440-442wrap_periodic_pmegrid(gmx_pme_t const*, float*)Innermost0.030.070.0710.66012.5118102000
3303libgromacs_mpi.so.7 - pairlist_simd_4xm.h:268-273 [...]_INTERNALb629d8fd::makeClusterListSimd4xn(Nbnxm::Grid const&, NbnxnPairlistCpu*, int, int, int, bool, float const*, float, float, int*)Single0.030.090.0916.145.5618.75116.811NANANANANA
22920libgromacs_mpi.so.7 - pme_solve.cpp:499-511solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.030.090.09110.4210091.25111.12126000
3279libgromacs_mpi.so.7 - pairlist.cpp:2966-3474 [...]void _INTERNALb629d8fd::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, ...InBetween0.030.070.0713.735.8815.071.412.1981NANANANANA
22686libgromacs_mpi.so.7 - pme_grid.cpp:395-404copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)Innermost0.030.070.0710.00017.19117.2110000
22716libgromacs_mpi.so.7 - pme_grid.cpp:496-539 [...]unwrap_periodic_pmegrid(gmx_pme_t*, float*)InBetween0.030.080.0810.00013.16117.691NANANANANA
1497libgromacs_mpi.so.7 - kernel_prune.cpp:76-176 [...]nbnxn_kernel_prune_4xn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)Outermost0.020.050.05145.6539.9948.861.2311.49111.53.500
22156libgromacs_mpi.so.7 - bonded.cpp:2179-2256 [...]std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNAL72b35b0f::(anonymous namespace)::rbdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc co...Single0.020.070.07122.0527.7235.751.881.062.421NANANANANA
22683libgromacs_mpi.so.7 - pme_grid.cpp:301-303copy_pmegrid_to_fftgrid(gmx_pme_t const*, float const*, float*, int)Innermost0.020.070.0710.00017.31117.5110000
3294libgromacs_mpi.so.7 - pairlist.cpp:1981-1985_INTERNALb629d8fd::closeIEntry(NbnxnPairlistCpu*, int, bool, float, int, int)Single0.020.050.0519.05012.51181010.7500
4493libgromacs_mpi.so.7 - localtopology.cpp:731-787 [...]void _INTERNALd64f4cfb::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...InBetween0.020.050.0510.00020.83117.171NANANANANA
22159libgromacs_mpi.so.7 - bonded.cpp:1822-2327 [...]float _INTERNAL72b35b0f::(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*...Single0.020.070.0712.383.9516.591.221.336.87121130
3293libgromacs_mpi.so.7 - pairlist.cpp:1991-1995_INTERNALb629d8fd::closeIEntry(NbnxnPairlistCpu*, int, bool, float, int, int)Single0.020.050.0516.93012.51181010.7500
20298libgromacs_mpi.so.7 - iterator_interface.hpp:459-459 [...]_INTERNAL14e05f89::setupForceOutputs(ForceHelperBuffers*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::DomainLifetimeWorkload const&, gmx::StepWorkload const&, bool, gmx_wallcycle*)Single0.020.060.0610.00018.75116.86101000
19716libgromacs_mpi.so.7 - lincs.cpp:1155-1155 [...]_INTERNAL661916bb::gmx::do_lincs(_INTERNAL661916bb::gmx::ArrayRefWithPadding<_INTERNAL661916bb::gmx::BasicVector<float> const>, _INTERNAL661916bb::gmx::ArrayRefWithPadding<_INTERNAL661916bb::gmx::BasicVector<float> >, float const (*...Innermost0.020.050.0518.4810010011.21.2104000
4495libgromacs_mpi.so.7 - iterator_interface.hpp:459-459 [...]void _INTERNALd64f4cfb::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...InBetween0.020.050.0510.00022.191112.21NANANANANA
1023libgromacs_mpi.so.7 - kernel_outer.h:618-621 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.020.050.05176.7599.3499.42111131123
22220libgromacs_mpi.so.7 - bonded.cpp:129-3032 [...]std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNAL72b35b0f::(anonymous namespace)::rbdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3]...Single0.020.060.0612.335.2215.211.141.116.831NANANANANA
3316libgromacs_mpi.so.7 - pairlist.cpp:607-1332 [...]_INTERNALb629d8fd::setExclusionsForIEntry(Nbnxm::GridSet const&, NbnxnPairlistCpu*, bool, int, nbnxn_ci_t const&, gmx::ListOfLists<int> const&)Innermost0.020.060.0618.42012.5118100010
4276libgromacs_mpi.so.7 - iterator_interface.hpp:459-459 [...]_INTERNALcd96ede4::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> >*)InBetween0.010.020.0210.0010.7425.024.1718.031NANANANANA
19784libgromacs_mpi.so.7 - lincs.cpp:2117-2151 [...]gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef<float const>, float, bool, t_commrec const*, gmx::Lincs*)Innermost0.010.010.0110.0010.7119.312.78115.531NANANANANA
4264libgromacs_mpi.so.7 - domdec_constraints.cpp:254-264 [...]_INTERNALcd96ede4::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&...InBetween0.010.020.0210.00014.77117.361NANANANANA
2625libgromacs_mpi.so.7 - grid.cpp:415-420_INTERNALbed727ba::Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>)Single0.010.030.0310.13012.51181010.250.50
4526libgromacs_mpi.so.7 - stl_algobase.h:752-754int _INTERNALd64f4cfb::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...Innermost0.010.010.0110.00012.5118101000
4648libgromacs_mpi.so.7 - iterator_interface.hpp:459-459 [...]void _INTERNAL86d71067::orderVector<int>(gmx::ArrayRef<gmx_cgsort const>, gmx::ArrayRef<int>, gmx::ArrayRef<int>)Single0.010.010.0110.00020.83117101101
22373libgromacs_mpi.so.7 - manage_threading.cpp:365-367 [...]setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&)Innermost0.010.020.0210.00025114101001
3291libgromacs_mpi.so.7 - pairlist.cpp:1998-2000_INTERNALb629d8fd::closeIEntry(NbnxnPairlistCpu*, int, bool, float, int, int)Single0.010.030.0316.00012.5118102000
22717libgromacs_mpi.so.7 - pme_grid.cpp:537-539unwrap_periodic_pmegrid(gmx_pme_t*, float*)Innermost0.010.010.0110.00012.5118102000
4886libgromacs_mpi.so.7 - redistribute.cpp:349-421 [...]_INTERNAL719fd497::calc_cg_move(_IO_FILE*, long, gmx_domdec_t*, t_state*, int const*, float (*) [3], float const*, float const*, MoveLimits const&, int, int, gmx::ArrayRef<int>)InBetween0.010.040.0410.002.0213.791.331.188.711NANANANANA
22693libgromacs_mpi.so.7 - pme_grid.cpp:469-471wrap_periodic_pmegrid(gmx_pme_t const*, float*)Innermost0.010.020.0212.75100100111102000
4530libgromacs_mpi.so.7 - localtopology.cpp:505-513 [...]int _INTERNALd64f4cfb::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...InBetween0.010.030.0310.00012.511810.672020
3314libgromacs_mpi.so.7 - pairlist.cpp:607-1420 [...]_INTERNALb629d8fd::setExclusionsForIEntry(Nbnxm::GridSet const&, NbnxnPairlistCpu*, bool, int, nbnxn_ci_t const&, gmx::ListOfLists<int> const&)Outermost0.010.030.03111.67018.06117.21NANANANANA
4877libgromacs_mpi.so.7 - redistribute.cpp:91-100 [...]_INTERNAL719fd497::copyMovedAtomsToBufferPerAtom(gmx::ArrayRef<int const>, int, int, float (*) [3], gmx_domdec_comm_t*)Single0.010.010.0110.00020116.38101.5010.5
22704libgromacs_mpi.so.7 - pme_grid.cpp:438-442wrap_periodic_pmegrid(gmx_pme_t const*, float*)InBetween0.010.040.0410.53014.1731.437.581NANANANANA
2615libgromacs_mpi.so.7 - grid.cpp:825-825_INTERNALbed727ba::Nbnxm::sort_cluster_on_flag(int, int, int, gmx::ArrayRef<long const>, gmx::ArrayRef<int>, int*)Innermost0.010.020.0210.00015.63116.41NANANANANA
3275libgromacs_mpi.so.7 - pairlist.cpp:1954-3507 [...]void _INTERNALb629d8fd::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, ...InBetween0.010.020.0215.8111.4317.51.191.437.851NANANANANA
3276libgromacs_mpi.so.7 - pairlist.cpp:3181-3267 [...]void _INTERNALb629d8fd::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, ...Innermost0.010.020.0214.756.2515.231.21.348.711NANANANANA
19710libgromacs_mpi.so.7 - lincs.cpp:1215-1223 [...]_INTERNAL661916bb::gmx::do_lincs(_INTERNAL661916bb::gmx::ArrayRefWithPadding<_INTERNAL661916bb::gmx::BasicVector<float> const>, _INTERNAL661916bb::gmx::ArrayRefWithPadding<_INTERNAL661916bb::gmx::BasicVector<float> >, float const (*...Single0.010.030.03111.2941411.178.31122100
4650libgromacs_mpi.so.7 - iterator_interface.hpp:459-459 [...]void _INTERNAL86d71067::orderVector<long>(gmx::ArrayRef<gmx_cgsort const>, gmx::ArrayRef<long>, gmx::ArrayRef<long>)Single0.010.020.0210.00025114101101
2223libgromacs_mpi.so.7 - atomdata.cpp:1006-1011 [...]L__Z31nbnxn_atomdata_copy_x_to_nbat_xRKN5Nbnxm7GridSetEN3gmx12AtomLocalityEPA3_KfP16nbnxn_atomdata_t_993__par_region0_2_54Innermost0.010.010.0110.00015117.43142100
22923libgromacs_mpi.so.7 - pme_solve.cpp:486-496solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.010.030.03115.0410080.43111.3103000
4723libgromacs_mpi.so.7 - stl_algobase.h:322-324 [...]void _INTERNAL86d71067::orderVector<gmx::BasicVector<float> >(gmx::ArrayRef<gmx_cgsort const>, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >)Single0.010.010.0110.00012.5118102000
20295libgromacs_mpi.so.7 - sim_util.cpp:150-150 [...]_INTERNAL14e05f89::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...Single0.010.040.0412.22012.5118102000
2236libgromacs_mpi.so.7 - atomdata.cpp:226-236copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)Single0.010.030.0310.00012.5118101200
22702libgromacs_mpi.so.7 - pme_grid.cpp:453-455wrap_periodic_pmegrid(gmx_pme_t const*, float*)Innermost0.010.020.0213.00100100111102000
4275libgromacs_mpi.so.7 - domdec_constraints.cpp:314-375 [...]_INTERNALcd96ede4::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> >*)Outermost0.010.010.0110.00018.98116.741NANANANANA
4263libgromacs_mpi.so.7 - domdec_constraints.cpp:234-282 [...]_INTERNALcd96ede4::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&...Outermost0.010.020.0210.008.3324.31116.21NANANANANA
2622libgromacs_mpi.so.7 - grid.cpp:329-437 [...]_INTERNALbed727ba::Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>)Outermost0.010.020.0210.31013.692.222.247.691NANANANANA
19717libgromacs_mpi.so.7 - lincs.cpp:1098-1098 [...]_INTERNAL661916bb::gmx::do_lincs(_INTERNAL661916bb::gmx::ArrayRefWithPadding<_INTERNAL661916bb::gmx::BasicVector<float> const>, _INTERNAL661916bb::gmx::ArrayRefWithPadding<_INTERNAL661916bb::gmx::BasicVector<float> >, float const (*...Single0.010.040.0412.06100100111103000
22926libgromacs_mpi.so.7 - pme_solve.cpp:234-238 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.010.040.04130.811001001.1211123000
3278libgromacs_mpi.so.7 - pairlist.cpp:1954-3507 [...]void _INTERNALb629d8fd::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, ...InBetween0.010.010.01121.131.6917.373.581.786.871NANANANANA
22219libgromacs_mpi.so.7 - bonded.cpp:1914-2008 [...]std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNAL72b35b0f::(anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3],...Innermost0.010.040.0411.567.8417.41.111.187.11131010
22372libgromacs_mpi.so.7 - manage_threading.cpp:363-367 [...]setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&)InBetween0.010.010.0110.00016.32117.3211.330.6700.670
4268libgromacs_mpi.so.7 - new_allocator.h:101-130 [...]_INTERNALcd96ede4::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&...InBetween0.010.010.0110.005.8826.47113.91NANANANANA
5822libgromacs_mpi.so.7 - threaded_force_buffer.cpp:182-187 [...]L__ZN17_INTERNALd56b7fc33gmx12_GLOBAL__N_124reduceThreadForceBuffersIA4_fEEvNS0_8ArrayRefINS0_11BasicVectorIfEEEENS4_ISt10unique_ptrINS0_17ThreadForceBufferIT_EESt14default_deleteISB_EEEENS4_IKSt5arrayImLm2EEEENS4_IKiEE_170__par_region0_2_134Innermost0.010.020.0211.945036.461.7114.6612101.50
19739libgromacs_mpi.so.7 - lincs.cpp:1255-1324 [...]_INTERNAL661916bb::gmx::set_lincs_matrix_task(_INTERNAL661916bb::gmx::Lincs*, _INTERNAL661916bb::gmx::Task*, _INTERNAL661916bb::gmx::ArrayRef<float const>, int*, int*)InBetween0.010.010.0111.254.7615.483.331.887.51NANANANANA
3299libgromacs_mpi.so.7 - pairlist.cpp:272-276void _INTERNALb629d8fd::get_cell_range<0>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*)Single0.010.010.0117.13202011.678100000
4783libgromacs_mpi.so.7 - partition.cpp:525-536 [...]_INTERNAL86d71067::make_dd_indices(gmx_domdec_t*, int)InBetween0.010.020.0210.007.0222.42119.911NANANANANA
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