options

Loops Index

306 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 0.57% 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

▼Columns Filter

Level Exclusive coverage run_0 (%) Inclusive coverage run_0 (%) Max Exclusive Time Over Threads run_0 (s) Max Inclusive Time Over Threads run_0 (s) Exclusive Time w.r.t. Wall Time run_0 (s) Inclusive Time w.r.t. Wall Time run_0 (s) Nb Threads run_0 Vectorization Ratio (%) Vector Length Use (%) Speedup If No Scalar Integer Speedup If FP Vectorized Speedup If Fully Vectorized Speedup If Perfect Load Balancing run_0 Stride 0 Stride 1 Stride n Stride Unknown Stride Indirect
Loop idSource LocationSource FunctionLevelExclusive coverage run_0 (%)Inclusive coverage run_0 (%)Max Exclusive Time Over Threads run_0 (s)Max Inclusive Time Over Threads run_0 (s)Exclusive Time w.r.t. Wall Time run_0 (s)Inclusive Time w.r.t. Wall Time run_0 (s)Nb Threads run_0Vectorization Ratio (%)Vector Length Use (%)Speedup If No Scalar IntegerSpeedup If FP VectorizedSpeedup If Fully VectorizedSpeedup If Perfect Load Balancing run_0Stride 0Stride 1Stride nStride UnknownStride Indirect
891libgromacs_mpi.so.9.0.0 - simd_kernel.h:476-476 [...]void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)0>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...Innermost15.3215.324.634.631.901.9012889.4483.62111.081.6420151
889libgromacs_mpi.so.9.0.0 - simd_kernel.h:497-497 [...]void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)0>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...Innermost5.505.503.053.050.680.6812889.8284.21111.05320151
898libgromacs_mpi.so.9.0.0 - simd_kernel.h:476-476 [...]void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)1>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...Innermost2.672.670.780.780.330.3312888.784.84111.041.5920124
14242libgromacs_mpi.so.9.0.0 - calc_verletbuf.cpp:606-849 [...]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, int, float)Innermost2.412.410.440.440.300.3019210.889.031.051.265.691.4820110
17268libgromacs_mpi.so.9.0.0 - pme_gather.cpp:103-348 [...]gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)Outermost1.501.500.800.800.190.196463.6438.761.311.071.41.45NANANANANA
886libgromacs_mpi.so.9.0.0 - simd_kernel.h:273-545 [...]void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)0>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...Outermost1.0123.550.285.010.132.9212863.8343.881.211.031.471.5NANANANANA
896libgromacs_mpi.so.9.0.0 - simd_kernel.h:497-497 [...]void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)1>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...Innermost0.980.980.540.540.120.1212488.9385.47111.032.9220124
17552libgromacs_mpi.so.9.0.0 - pme_spread.cpp:358-400 [...]spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.11]InBetween0.900.900.480.480.110.116479.1821.661.461.263.41.42NANANANANA
892libgromacs_mpi.so.9.0.0 - impl_x86_avx_512_simd_float.h:181-461 [...]void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)0>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...Innermost0.670.670.250.250.080.0812887.3981.791.0111.031.9721134
17639libgromacs_mpi.so.9.0.0 - fft5d.cpp:787-789fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.670.670.320.320.080.086406.251111.731.300400
890libgromacs_mpi.so.9.0.0 - impl_x86_avx_512_simd_float.h:181-461 [...]void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)0>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...Innermost0.530.530.330.330.070.0712387.9882.641.0111.023.2821134
17558libgromacs_mpi.so.9.0.0 - pme_spread.cpp:277-975 [...]spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.11]InBetween0.530.530.390.390.070.076440.7817.211.983.852.01NANANANANA
887libgromacs_mpi.so.9.0.0 - simd_kernel.h:518-518 [...]void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)0>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...Innermost0.460.460.550.550.060.065996.6385.6111.053.0220132
17634libgromacs_mpi.so.9.0.0 - fft5d.cpp:853-855fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.430.430.220.220.050.056407.951191.3710060
16891libgromacs_mpi.so.9.0.0 - bonded.cpp:2066-2126 [...]std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::pdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*,...Single0.400.400.280.280.050.0510876.4258.471.1211.343.17NANANANANA
2634libgromacs_mpi.so.9.0.0 - simd_prune_kernel.cpp:144-204 [...]void nbnxmSimdPruneKernel<(KernelLayout)1>(NbnxnPairlistCpu*, nbnxn_atomdata_t const&, gmx::ArrayRef<gmx::BasicVector<float> const>, float)Innermost0.380.380.130.130.050.0512889.4782.24111.131.8301020
14999libgromacs_mpi.so.9.0.0 - lincs.cpp:290-292gmx::lincs_matrix_expand(gmx::Lincs const&, (anonymous namespace)::Task const&, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<float>)Innermost0.360.360.220.220.050.0511406.2513.37162.9102001
15319libgromacs_mpi.so.9.0.0 - settle.cpp:425-425 [...]gmx::csettle(gmx::SettleData const&, int, int, t_pbc const*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float, gmx::ArrayRefWithPadding<gmx::BasicVector<flo...Single0.320.320.160.160.040.0412798.4494.041.0111.012.73203038
17629libgromacs_mpi.so.9.0.0 - fft5d.cpp:916-918fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.320.320.170.170.040.046406.941111.261.4810230
16882libgromacs_mpi.so.9.0.0 - bonded.cpp:1151-1170 [...]std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::angles<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*...Single0.310.310.170.170.040.0411079.0748.921.081.031.492.55NANANANANA
14998libgromacs_mpi.so.9.0.0 - lincs.cpp:278-295 [...]gmx::lincs_matrix_expand(gmx::Lincs const&, (anonymous namespace)::Task const&, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<float>)InBetween0.310.670.160.380.040.0811327.9312.921.782.8110.672.4710050.5
2543libgromacs_mpi.so.9.0.0 - pairlist.cpp:162-4066 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]InBetween0.290.840.100.230.040.101286.0610.24.032.97.191.84NANANANANA
14989libgromacs_mpi.so.9.0.0 - lincs.cpp:845-857 [...]gmx::do_lincs(gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const (*) [3], t_pbc*, gmx::Lincs*, int, gmx::ArrayRef<float const>, t_commrec const*, bool, floa...Single0.290.290.170.170.040.0411067.7956.381.0411.132.6225206
1375libgromacs_mpi.so.9.0.0 - atomdata.cpp:226-233copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)Single0.280.280.100.100.030.0312806.251.32111.381.8401211
1444libgromacs_mpi.so.9.0.0 - atomdata.cpp:1137-1143 [...]reduceForces(nbnxn_atomdata_t*, gmx::AtomLocality, Nbnxm::GridSet const&, float (*) [3]) [clone .extracted]Innermost0.280.280.100.100.030.0312806.251.111.19.411.9602001
15002libgromacs_mpi.so.9.0.0 - lincs.cpp:376-391 [...]gmx::lincs_update_atoms(gmx::Lincs*, int, float, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>, float (*) [3])Single0.250.250.130.130.030.0311227.7811.1111.1152.5202121
17121libgromacs_mpi.so.9.0.0 - pairs.cpp:873-894 [...]void do_pairs_simple<gmx::SimdFloat, 16, float const*>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float const*, gmx::ArrayRef<float const>, float)Single0.250.250.190.190.030.0310766.1334.751.161.041.63.44NANANANANA
17426libgromacs_mpi.so.9.0.0 - pme_redistribute.cpp:345-367 [...]do_redist_pos_coeffs(gmx_pme_t*, t_commrec const*, bool, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>)Innermost0.220.220.140.140.030.036407.131.4516.721.7250.500.5
2550libgromacs_mpi.so.9.0.0 - pairlist_simd_2xmm.h:130-174 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]Innermost0.200.200.080.080.020.0212874.0142.11.081.221.62.052.5010.50
17419libgromacs_mpi.so.9.0.0 - pme_redistribute.cpp:455-468 [...]dd_pmeredist_f(gmx_pme_t*, PmeAtomComm*, gmx::ArrayRef<gmx::BasicVector<float> >, bool)Single0.190.190.120.120.020.026406.641.4416.691.681201.51
2955libgromacs_mpi.so.9.0.0 - domdec.cpp:415-419 [...]dd_move_f(gmx_domdec_t*, gmx::ForceWithShiftForces*, gmx_wallcycle*)Innermost0.180.180.070.070.020.0212806.2511.088.422.0902010
14982libgromacs_mpi.so.9.0.0 - lincs.cpp:966-978 [...]gmx::do_lincs(gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const (*) [3], t_pbc*, gmx::Lincs*, int, gmx::ArrayRef<float const>, t_commrec const*, bool, floa...Innermost0.170.170.090.090.020.0210959.1748.81.0611.192.56040010
17574libgromacs_mpi.so.9.0.0 - pme_spread.cpp:104-133 [...]spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.18]Innermost0.170.170.120.120.020.026406.251.241.7612.151.9413005
2557libgromacs_mpi.so.9.0.0 - pairlist.cpp:3503-3505PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]Innermost0.150.150.070.070.020.0212606.251.111.46162.4300100
893libgromacs_mpi.so.9.0.0 - simd_kernel.h:273-555 [...]void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)1>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...Outermost0.154.070.060.860.020.5112766.850.051.291.061.451.94NANANANANA
17632libgromacs_mpi.so.9.0.0 - fft5d.cpp:849-855fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.130.580.090.280.020.076409.27115.871.85NANANANANA
17435libgromacs_mpi.so.9.0.0 - pme_redistribute.cpp:96-103pme_calc_pidx_wrapper(gmx::ArrayRef<gmx::BasicVector<float> const>, float const (*) [3], PmeAtomComm*) [clone .extracted]Innermost0.130.130.080.080.020.026406.253181.7802100
17437libgromacs_mpi.so.9.0.0 - pme_redistribute.cpp:111-118pme_calc_pidx_wrapper(gmx::ArrayRef<gmx::BasicVector<float> const>, float const (*) [3], PmeAtomComm*) [clone .extracted]Innermost0.130.130.080.080.020.026406.254181.8301200
899libgromacs_mpi.so.9.0.0 - impl_x86_avx_512_simd_float.h:181-461 [...]void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)1>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...Innermost0.120.120.050.050.010.0112485.2582.011.0211.022.4930143
2549libgromacs_mpi.so.9.0.0 - pairlist_simd_2xmm.h:185-229 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]Innermost0.110.110.060.060.010.0112576.5842.221.081.221.632.5001.50
14988libgromacs_mpi.so.9.0.0 - lincs.cpp:1135-1137 [...]gmx::do_lincs(gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const (*) [3], t_pbc*, gmx::Lincs*, int, gmx::ArrayRef<float const>, t_commrec const*, bool, floa...Innermost0.090.090.050.050.010.019822.2210.4211.125.892.5413010
2952libgromacs_mpi.so.9.0.0 - domdec.cpp:289-291 [...]dd_move_x(gmx_domdec_t*, float const (*) [3], gmx::ArrayRef<gmx::BasicVector<float> >, gmx_wallcycle*)Innermost0.090.090.050.050.010.0112109.9116.153.1501110
17627libgromacs_mpi.so.9.0.0 - fft5d.cpp:912-918fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.090.410.060.190.010.056407.42118.461.9NANANANANA
897libgromacs_mpi.so.9.0.0 - impl_x86_avx_512_simd_float.h:181-461 [...]void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)1>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...Innermost0.090.090.070.070.010.019386.8383.81.0311.013.2320144
15118libgromacs_mpi.so.9.0.0 - mdatoms.cpp:267-438 [...]atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*) [clone .extracted]Outermost0.070.080.040.040.010.011189.388.861.381.815.932.7NANANANANA
16938libgromacs_mpi.so.9.0.0 - vec.h:141-335 [...]std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type (anonymous namespace)::angles<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, flo...Single0.070.070.050.050.010.018928.9811.331.181.555.92.912.50050
3294libgromacs_mpi.so.9.0.0 - localtopology.cpp:323-577 [...]int assignInteractionsForAtom<false>(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> const>, In...Outermost0.070.130.050.120.010.02915.689.062.732.157.663.03NANANANANA
106gmx_mpi - __intel_avx_rep_memcpySingle0.070.070.050.050.010.016510050111.332.2802000
894libgromacs_mpi.so.9.0.0 - simd_kernel.h:518-518 [...]void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)1>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...Innermost0.060.060.090.090.010.013910091.67111.022.4510121
2556libgromacs_mpi.so.9.0.0 - pairlist.cpp:3518-3520PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]Innermost0.060.060.040.040.010.019606.251.111.46163.0200100
17447libgromacs_mpi.so.9.0.0 - pme_solve.cpp:233-233 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.060.060.050.050.010.01631001001112.0603000
4189libgromacs_mpi.so.9.0.0 - threaded_force_buffer.cpp:200-200 [...]void gmx::(anonymous namespace)::reduceThreadForceBuffers<float [4]>(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<std::unique_ptr<gmx::ThreadForceBuffer<float [4]>, std::default_delete<gmx::ThreadForceBuffer<fl...Innermost0.060.060.040.040.010.019928.5711.61116.42.9400200
15488libgromacs_mpi.so.9.0.0 - update.cpp:379-405 [...]gmx::Update::Impl::update_coords(t_inputrec const&, long, int, bool, gmx::ArrayRef<ParticleType const>, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, t_state*, gmx::ArrayRefWithPadding<gmx::BasicVe...Single0.050.050.030.030.010.01108100251.21.222.672.9411510
15098libgromacs_mpi.so.9.0.0 - md_support.cpp:181-209 [...]void calc_ke_part_normal<false>(float const (*) [3], gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> const>, float const (*) [3], t_grpopts const*, t_mdatoms const*, gmx_ekindata_t*, t_nrnb*...Innermost0.050.050.040.040.010.0110752.9424.631.161.542.262.9802110
888libgromacs_mpi.so.9.0.0 - simd_kernel.h:510-513 [...]void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)0>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...Innermost0.050.050.080.080.010.014094.6284.21111.052.4121133
17403libgromacs_mpi.so.9.0.0 - pme_pp.cpp:604-604 [...]gmx_pme_receive_f(gmx::PmePpCommGpu*, t_commrec const*, gmx::ForceWithVirial*, float*, float*, float*, float*, bool, bool, float*)Single0.050.050.030.030.010.0110828.5711.611.171.125.892.8510200
2539libgromacs_mpi.so.9.0.0 - pairlist.cpp:1330-1430 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]InBetween0.050.060.030.030.010.0110507.64119.52.79NANANANANA
3521libgromacs_mpi.so.9.0.0 - partition.cpp:1436-2050 [...]setup_dd_communication(gmx_domdec_t*, float (*) [3], gmx_ddbox_t*, t_forcerec*, t_state*) [clone .extracted]InBetween0.040.050.020.020.010.0110413.989.852.552.127.22.49NANANANANA
3298libgromacs_mpi.so.9.0.0 - localtopology.cpp:506-537 [...]int assignInteractionsForAtom<false>(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> const>, In...Innermost0.040.040.090.090.010.017533.3313.022.33110.56.49NANANANANA
3186libgromacs_mpi.so.9.0.0 - domdec_specatomcomm.cpp:229-231 [...]dd_move_x_specat(gmx_domdec_t const*, gmx_domdec_specat_comm_t*, float const (*) [3], gmx::BasicVector<float>*, gmx::BasicVector<float>*, bool)Innermost0.040.040.040.040.000.009109.9116.153.9101110
2530libgromacs_mpi.so.9.0.0 - pairlist.cpp:162-4126 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]InBetween0.041.120.020.250.000.149720.2118.13.561.011.372.62NANANANANA
15320libgromacs_mpi.so.9.0.0 - settle.cpp:425-425 [...]gmx::csettle(gmx::SettleData const&, int, int, t_pbc const*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float, gmx::ArrayRefWithPadding<gmx::BasicVector<flo...Single0.040.040.030.030.000.008898.3794.831.0111.012.43203038
14987libgromacs_mpi.so.9.0.0 - lincs.cpp:1133-1137 [...]gmx::do_lincs(gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const (*) [3], t_pbc*, gmx::Lincs*, int, gmx::ArrayRef<float const>, t_commrec const*, bool, floa...Outermost0.040.130.040.090.000.028018.1810.231.832.4910.563.29NANANANANA
1440libgromacs_mpi.so.9.0.0 - atomdata.cpp:973-982 [...]nbnxn_atomdata_copy_x_to_nbat_x(Nbnxm::GridSet const&, gmx::AtomLocality, float const (*) [3], nbnxn_atomdata_t*) [clone .extracted]Innermost0.040.040.030.030.000.0093010.42114.763.3441010
16948libgromacs_mpi.so.9.0.0 - bonded.cpp:1913-2008 [...]std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type (anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, floa...Innermost0.030.030.030.030.000.006827.381.271.157.722.920031
15484libgromacs_mpi.so.9.0.0 - update.cpp:498-498 [...]gmx::Update::Impl::update_coords(t_inputrec const&, long, int, bool, gmx::ArrayRef<ParticleType const>, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, t_state*, gmx::ArrayRefWithPadding<gmx::BasicVe...Single0.030.030.020.020.000.00961001001113.0605000
15498libgromacs_mpi.so.9.0.0 - update.cpp:1702-1706gmx::Update::Impl::finish_update(t_inputrec const&, bool, int, gmx::ArrayRef<unsigned short const>, t_state*, gmx_wallcycle*, bool) [clone .extracted]Single0.030.030.030.030.000.009309.38117.113.6500200
2542libgromacs_mpi.so.9.0.0 - pairlist.cpp:162-4066 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]InBetween0.030.870.030.210.000.11823.577.651.431.4310.273.83NANANANANA
3277libgromacs_mpi.so.9.0.0 - localtopology.cpp:749-762 [...]void make_exclusions_zone<false>(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> > const&, gmx...InBetween0.030.060.030.030.000.0177010.24119.912.66NANANANANA
17637libgromacs_mpi.so.9.0.0 - fft5d.cpp:783-789fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.030.700.030.330.000.095708.331114.552.79NANANANANA
17636libgromacs_mpi.so.9.0.0 - fft5d.cpp:779-1132 [...]fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.030.730.040.350.000.095809.38115.223.31NANANANANA
17887libgromacs_mpi.so.9.0.0 - md.cpp:232-2136 [...]gmx::LegacySimulator::do_md()Outermost0.030.030.030.030.000.008412.2711.923.731.15.253.02NANANANANA
1545libgromacs_mpi.so.9.0.0 - grid.cpp:416-421Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>)Single0.030.030.020.020.000.007706.621115.522.81NANANANANA
17450libgromacs_mpi.so.9.0.0 - pme_solve.cpp:521-530solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.030.030.030.030.000.005693.3393.75111.12.7303000
17461libgromacs_mpi.so.9.0.0 - pme_solve.cpp:440-453solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.030.030.030.030.000.00555.887.3511.582.707000
3278libgromacs_mpi.so.9.0.0 - hashedmap.h:277-282void make_exclusions_zone<false>(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> > const&, gmx...Innermost0.030.030.030.030.000.007708.3311153.1800001
17446libgromacs_mpi.so.9.0.0 - pme_solve.cpp:233-233 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.030.030.020.020.000.00491001001112.0403000
2949libgromacs_mpi.so.9.0.0 - domdec.cpp:297-302 [...]dd_move_x(gmx_domdec_t*, float const (*) [3], gmx::ArrayRef<gmx::BasicVector<float> >, gmx_wallcycle*)Innermost0.020.020.030.030.000.005306.2511.128.622.6902010
14241libgromacs_mpi.so.9.0.0 - calc_verletbuf.cpp:606-849 [...]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, int, float)Outermost0.022.440.020.450.000.30857.978.4211.786.472.93NANANANANA
16892libgromacs_mpi.so.9.0.0 - bonded.cpp:2179-2256 [...]std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::rbdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*...Outermost0.020.030.050.050.000.003390.9187.861.0211.082.873.5009.54
17460libgromacs_mpi.so.9.0.0 - pme_solve.cpp:456-469solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.020.020.030.030.000.00475.887.3511.582.5207000
2546libgromacs_mpi.so.9.0.0 - pairlist_simd_2xmm.h:237-241 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]InBetween0.020.020.020.020.000.00759.0910.693.3618.82.7NANANANANA
17442libgromacs_mpi.so.9.0.0 - pme_solve.cpp:233-560 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Outermost0.020.170.020.110.000.025234.3838.361.791.021.352.41NANANANANA
17444libgromacs_mpi.so.9.0.0 - pme_solve.cpp:554-560solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.020.020.030.030.000.005410058.3311.41.4302000
17626libgromacs_mpi.so.9.0.0 - fft5d.cpp:908-1132 [...]fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.020.430.020.210.000.055507.29117.862.57NANANANANA
17116libgromacs_mpi.so.9.0.0 - vec.h:141-345 [...]do_pairs(int, int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float const*, float*, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<bool const>, gmx::ArrayRef<un...Single0.020.020.030.030.000.005713.488.91.551.276.973.26NANANANANA
3468libgromacs_mpi.so.9.0.0 - hashedmap.h:229-255 [...]gmx::dd_partition_system(_IO_FILE*, gmx::MDLogger const&, long, t_commrec const*, bool, t_state*, gmx_mtop_t const&, t_inputrec const&, gmx::MDModulesNotifiers const&, gmx::ImdSession*, pull_t*, t_state*, gmx::ForceBuffers*, gmx::MDAtoms*, ...Outermost0.020.020.020.020.000.007606.771112.312.92NANANANANA
2528libgromacs_mpi.so.9.0.0 - pairlist.cpp:199-4126 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]InBetween0.020.070.020.040.000.01687.819.861.831.51.972.67NANANANANA
17631libgromacs_mpi.so.9.0.0 - fft5d.cpp:845-855fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.020.600.020.290.000.074807.35118.142.04NANANANANA
2633libgromacs_mpi.so.9.0.0 - simd_prune_kernel.cpp:106-213 [...]void nbnxmSimdPruneKernel<(KernelLayout)1>(NbnxnPairlistCpu*, nbnxn_atomdata_t const&, gmx::ArrayRef<gmx::BasicVector<float> const>, float)Outermost0.020.400.010.140.000.056522.5822.271.1211.742.070.670.67042
3206libgromacs_mpi.so.9.0.0 - hashedmap.h:277-282setup_specat_communication(gmx_domdec_t*, std::vector<int, std::allocator<int> >*, gmx_domdec_specat_comm_t*, gmx::HashedMap<int>*, int, int, char const*, char const*)Innermost0.020.020.020.020.000.006908.3311153.0700001
17448libgromacs_mpi.so.9.0.0 - pme_solve.cpp:533-542solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.020.020.020.020.000.004793.3393.75111.12.6403000
2537libgromacs_mpi.so.9.0.0 - pairlist.cpp:1330-1430 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]InBetween0.020.080.020.040.000.016307.81115.892.25NANANANANA
17288libgromacs_mpi.so.9.0.0 - pme_grid.cpp:166-171gmx_sum_qgrid_dd(gmx_pme_t*, float*, int)Innermost0.020.020.020.020.000.004510050111.22.8802000
3179libgromacs_mpi.so.9.0.0 - domdec_specatomcomm.cpp:285-287 [...]dd_move_x_specat(gmx_domdec_t const*, gmx_domdec_specat_comm_t*, float const (*) [3], gmx::BasicVector<float>*, gmx::BasicVector<float>*, bool)Innermost0.020.020.030.030.000.005209.38117.114.0500200
3181libgromacs_mpi.so.9.0.0 - domdec_specatomcomm.cpp:285-287 [...]dd_move_x_specat(gmx_domdec_t const*, gmx_domdec_specat_comm_t*, float const (*) [3], gmx::BasicVector<float>*, gmx::BasicVector<float>*, bool)Innermost0.020.020.020.020.000.004609.38117.113.0700200
3184libgromacs_mpi.so.9.0.0 - domdec_specatomcomm.cpp:229-231 [...]dd_move_x_specat(gmx_domdec_t const*, gmx_domdec_specat_comm_t*, float const (*) [3], gmx::BasicVector<float>*, gmx::BasicVector<float>*, bool)Innermost0.020.020.010.010.000.005509.9116.152.2601110
15362libgromacs_mpi.so.9.0.0 - sim_util.cpp:150-151 [...]sum_forces(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> const>) [clone .extracted]Single0.020.020.020.020.000.005628.5711.61116.43.1100200
2529libgromacs_mpi.so.9.0.0 - pairlist.cpp:199-4126 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]InBetween0.010.100.020.040.000.01482.449.31.981.71.792.74NANANANANA
4253libgromacs_mpi.so.9.0.0 - threaded_force_buffer.cpp:78-78 [...]gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()Single0.010.010.010.010.000.0050100501122.1401001
17633libgromacs_mpi.so.9.0.0 - fft5d.cpp:853-855fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.010.010.060.060.000.00806.2511161.3900020
14977libgromacs_mpi.so.9.0.0 - lincs.cpp:1265-1273gmx::do_lincs(gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const (*) [3], t_pbc*, gmx::Lincs*, int, gmx::ArrayRef<float const>, t_commrec const*, bool, floa...Single0.010.010.020.020.000.004406.25119.032.0612100
3265libgromacs_mpi.so.9.0.0 - localtopology.cpp:104-701 [...]int make_bondeds_zone<false>(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&, bool, int const*, b...Outermost0.010.020.010.020.000.005009.217.3218.062.5NANANANANA
4185libgromacs_mpi.so.9.0.0 - threaded_force_buffer.cpp:170-211 [...]void gmx::(anonymous namespace)::reduceThreadForceBuffers<float [4]>(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<std::unique_ptr<gmx::ThreadForceBuffer<float [4]>, std::default_delete<gmx::ThreadForceBuffer<fl...Outermost0.010.070.010.040.000.01447.6911.063.613.459.072.24NANANANANA
2956libgromacs_mpi.so.9.0.0 - domdec.cpp:426-435 [...]dd_move_f(gmx_domdec_t*, gmx::ForceWithShiftForces*, gmx_wallcycle*)Innermost0.010.010.030.030.000.003606.2511.048.943.1631110
3273libgromacs_mpi.so.9.0.0 - localtopology.cpp:738-788 [...]void make_exclusions_zone<false>(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> > const&, gmx...Outermost0.010.070.010.040.000.015009.7117.721.75NANANANANA
107gmx_mpi - __intel_avx_rep_memsetSingle0.010.010.010.010.000.0043100501122.3901000
17624libgromacs_mpi.so.9.0.0 - fft5d.cpp:758-1369 [...]fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Outermost0.011.780.010.750.000.224008.151182.26NANANANANA
17281libgromacs_mpi.so.9.0.0 - pme_grid.cpp:254-256gmx_sum_qgrid_dd(gmx_pme_t*, float*, int)Innermost0.010.010.030.030.000.003910050111.23.6802000
2571libgromacs_mpi.so.9.0.0 - pairlist.cpp:2082-2096 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]Innermost0.010.010.010.010.000.004106.56117.692.37NANANANANA
1548libgromacs_mpi.so.9.0.0 - stl_algobase.h:262-262 [...]Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>)Outermost0.010.010.010.010.000.004206.733.444.2915.712.42NANANANANA
1539libgromacs_mpi.so.9.0.0 - grid.cpp:825-836 [...]Nbnxm::Grid::fillCell(Nbnxm::GridSetData*, nbnxn_atomdata_t*, int, int, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, Nbnxm::BoundingBox*)Innermost0.010.010.010.010.000.003907.97119.191.53NANANANANA
2526libgromacs_mpi.so.9.0.0 - pairlist.cpp:199-4126 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]InBetween0.010.030.010.020.000.00416.069.281.971.748.631.67NANANANANA
2954libgromacs_mpi.so.9.0.0 - domdec.cpp:381-453 [...]dd_move_f(gmx_domdec_t*, gmx::ForceWithShiftForces*, gmx_wallcycle*)InBetween0.010.210.020.080.000.03402.1510.254.022.147.453.27NANANANANA
2558libgromacs_mpi.so.9.0.0 - pairlist.cpp:291-293PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]Innermost0.010.010.020.020.000.003706.251.111.6713.333.0210000
1543libgromacs_mpi.so.9.0.0 - grid.cpp:1070-1089 [...]Nbnxm::Grid::sortColumnsCpuGeometry(Nbnxm::GridSetData*, int, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, nbnxn_atomdata_t*, gmx::Range<int>, gmx::ArrayRef<int>)Innermost0.010.010.010.010.000.00412011.882.1714.782.5621101
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