| Name | Module | Coverage (%) | Time (s) | Nb Threads | GFLOP/s | Deviation (coverage) | Deviation (time) |
|---|
| icc | icx | icc | icx | icc | icx | icc | icx | icc | icx | icc | icx |
|---|
| bool _INTERNAL1311483b::__kmp_wait_template<kmp_flag_64<false, true>, true, false, true>(kmp_info*, kmp_flag_64<false, true>*, void*) | libiomp5.so | 33.76 | 38.17 | 26.34 | 24.31 | 127 | 127 | 3.09 | 3.78 | 10.95 | 13.41 | 8.37 | 8.36 |
| nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*) | libgromacs.so.8 | 4.53 | 10.97 | 3.54 | 6.99 | 128 | 128 | 3218.97 | 7177.71 | 0.27 | 0.49 | 0.21 | 0.32 |
| fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*) | libgromacs.so.8 | 6.15 | 7.9 | 4.79 | 5.03 | 128 | 128 | 0.92 | 0.80 | 2.63 | 3.38 | 2.04 | 2.14 |
| clearForceBuffer(nbnxn_atomdata_t*, int) | libgromacs.so.8 | 0 | 8.63 | 0 | 5.5 | 1 | 128 | NA | 0.00 | 0.00 | 3.62 | 0.00 | 2.29 |
| void _INTERNAL720dbd66::clearBufferFlagged<3>(nbnxn_atomdata_t const&, int, gmx::ArrayRef<float>) | libgromacs.so.8 | 7.67 | NA | 5.99 | NA | 128 | NA | 0.00 | NA | 3.06 | NA | 2.37 | NA |
| mkl_dft_def_owns_cRadix4FwdNorm_32fc | libmkl_def.so | NA | 4.48 | NA | 2.85 | NA | 128 | NA | 49.37 | NA | 1.36 | NA | 0.86 |
| std::array<gmx::SimdFloat, 4> gmx::CoulombCalculator<(gmx::KernelCoulombType)1>::force<4>(std::array<gmx::SimdFloat, 4> const&, std::array<gmx::SimdFloat, 4> const&, std::array<gmx::SimdFloat, 4> const&, std:... | libgromacs.so.8 | 4.11 | NA | 3.21 | NA | 128 | NA | 3283.76 | NA | 0.20 | NA | 0.16 | NA |
| __intel_avx_rep_memcpy | gmx | 1.59 | 2.2 | 1.24 | 1.4 | 128 | 128 | 8.01 | 9.36 | 0.73 | 0.97 | 0.56 | 0.61 |
| nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted] | libgromacs.so.8 | NA | 3.64 | NA | 2.32 | NA | 128 | NA | 19.98 | NA | 1.49 | NA | 0.95 |
| nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*) | libgromacs.so.8 | 1.73 | 1.7 | 1.35 | 1.08 | 128 | 128 | 2031.60 | 8420.60 | 0.12 | 0.15 | 0.09 | 0.09 |
| gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float) | libgromacs.so.8 | 1.53 | 1.87 | 1.2 | 1.19 | 128 | 128 | 1101.92 | 1272.94 | 0.52 | 0.59 | 0.40 | 0.37 |
| L__ZN17_INTERNALe5e96b6b37nbnxn_atomdata_add_nbat_f_to_f_reduceEP16nbnxn_atomdata_ti_1157__par_region0_2_69 | libgromacs.so.8 | 3.11 | NA | 2.42 | NA | 128 | NA | 19.11 | NA | 1.28 | NA | 1.00 | NA |
| void __kmp_dispatch_deo<unsigned int>(int*, int*, ident*) | libiomp5.so | 1.79 | 0.1 | 1.4 | 0.06 | 127 | 127 | 0.00 | 0.00 | 0.08 | 0.01 | 0.07 | 0.01 |
| copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int) | libgromacs.so.8 | 0.79 | 1.04 | 0.61 | 0.66 | 89 | 90 | 0.00 | 0.00 | 0.40 | 0.53 | 0.31 | 0.34 |
| mkl_dft_def_ownscDftInv_Prime8_32fc | libmkl_def.so | NA | 1.78 | NA | 1.14 | NA | 128 | NA | 191.52 | NA | 0.42 | NA | 0.27 |
| __intel_avx_rep_memset | gmx | 0.72 | 1.03 | 0.56 | 0.66 | 128 | 128 | 6.13 | 3.08 | 0.41 | 0.54 | 0.32 | 0.34 |
| kmp_flag_native<unsigned long long, (flag_type)1, true>::notdone_check() | libiomp5.so | 0.8 | 0.92 | 0.63 | 0.59 | 128 | 128 | 3.89 | 4.52 | 0.24 | 0.30 | 0.19 | 0.19 |
| spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted] | libgromacs.so.8 | NA | 1.65 | NA | 1.05 | NA | 128 | NA | 5.65 | NA | 0.69 | NA | 0.44 |
| _ZN17_INTERNAL1311483b26__kmp_hyper_barrier_gatherE12barrier_typeP8kmp_infoiiPFvPvS3_ES3_..0 | libiomp5.so | 0.81 | 0.83 | 0.63 | 0.53 | 128 | 128 | 19.68 | 39.02 | 2.47 | 2.79 | 1.92 | 1.77 |
| gmx::lincs_matrix_expand(gmx::Lincs const&, (anonymous namespace)::Task const&, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<float>) | libgromacs.so.8 | NA | 1.41 | NA | 0.9 | NA | 128 | NA | 50.79 | NA | 0.41 | NA | 0.26 |
| spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.11] | libgromacs.so.8 | NA | 1.32 | NA | 0.84 | NA | 128 | NA | 597.57 | NA | 0.32 | NA | 0.20 |
| _INTERNALdb05b541::reduce_threadgrid_overlap(gmx_pme_t const*, pmegrids_t const*, int, float*, float*, float*, int) | libgromacs.so.8 | 1.28 | NA | 1 | NA | 128 | NA | 5.88 | NA | 0.58 | NA | 0.45 | NA |
| Unknown function | libgromacs.so.8 | 1.04 | 0.18 | 0.81 | 0.12 | 128 | 128 | 3132.94 | 34.08 | 0.08 | 0.09 | 0.07 | 0.06 |
| _INTERNAL3f4b4497::gmx::lincs_matrix_expand(_INTERNAL3f4b4497::gmx::Lincs const&, (anonymous namespace)::Task const&, _INTERNAL3f4b4497::gmx::ArrayRef<float const>, _INTERNAL3f4b4497::gmx::ArrayRef<float>, _INTERNAL3f4b4497::gmx::ArrayR... | libgromacs.so.8 | 1.13 | NA | 0.88 | NA | 128 | NA | 46.42 | NA | 0.37 | NA | 0.29 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#41}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 1.05 | NA | 0.82 | NA | 128 | NA | 2655.65 | NA | 0.34 | NA | 0.26 | NA |
| spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.18] | libgromacs.so.8 | NA | 1.04 | NA | 0.66 | NA | 128 | NA | 68.11 | NA | 0.33 | NA | 0.21 |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#45}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.91 | NA | 0.71 | NA | 128 | NA | 2958.92 | NA | 0.28 | NA | 0.22 | NA |
| void gmx::settleTemplateWrapper<gmx::SimdFloat, gmx::SimdFBool, 8, float const*>(gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*, bool, float (*) [3], bool*) | libgromacs.so.8 | NA | 0.89 | NA | 0.57 | NA | 128 | NA | 340.61 | NA | 0.28 | NA | 0.18 |
| _INTERNALdb05b541::calc_interpolation_idx(gmx_pme_t const*, PmeAtomComm*, int, int, int, int) | libgromacs.so.8 | 0.83 | NA | 0.65 | NA | 128 | NA | 72.08 | NA | 0.30 | NA | 0.23 | NA |
| void gmx::CoulombCalculator<(gmx::KernelCoulombType)1>::forceAndCorrectionEnergy<4, 4ul>(std::array<gmx::SimdFloat, 4> const&, std::array<gmx::SimdFloat, 4> const&, std::array<gmx::SimdFloat, 4> const&, std::array&... | libgromacs.so.8 | 0.69 | NA | 0.53 | NA | 128 | NA | 4309.90 | NA | 0.06 | NA | 0.04 | NA |
| _INTERNAL1311483b::__kmp_hyper_barrier_gather(barrier_type, kmp_info*, int, int, void (*)(void*, void*), void*) | libiomp5.so | 0.31 | 0.37 | 0.24 | 0.23 | 128 | 128 | 73.53 | 52.36 | 1.04 | 1.32 | 0.81 | 0.84 |
| gmx::Update::Impl::finish_update(t_inputrec const&, bool, int, gmx::ArrayRef<unsigned short const>, t_state*, gmx_wallcycle*, bool) [clone .extracted] | libgromacs.so.8 | NA | 0.65 | NA | 0.41 | NA | 128 | NA | 0.00 | NA | 0.16 | NA | 0.10 |
| gmx::lincs_update_atoms_ind(gmx::ArrayRef<int const>, gmx::ArrayRef<(anonymous namespace)::AtomPair const>, float, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>, flo... | libgromacs.so.8 | NA | 0.54 | NA | 0.35 | NA | 128 | NA | 141.59 | NA | 0.14 | NA | 0.09 |
| nbnxn_kernel_prune_4xn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float) | libgromacs.so.8 | 0.26 | 0.28 | 0.2 | 0.18 | 128 | 128 | 4481.37 | 4952.21 | 0.05 | 0.06 | 0.04 | 0.04 |
| L__ZN3gmx6Update4Impl13finish_updateERK10t_inputrecbiNS_8ArrayRefIKtEEP7t_stateP13gmx_wallcycleb_1660__par_region0_2_187 | libgromacs.so.8 | 0.52 | NA | 0.4 | NA | 128 | NA | 0.00 | NA | 0.16 | NA | 0.13 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#50}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.52 | NA | 0.41 | NA | 128 | NA | 3916.91 | NA | 0.17 | NA | 0.13 | NA |
| 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... | libgromacs.so.8 | NA | 0.51 | NA | 0.33 | NA | 128 | NA | 114.92 | NA | 0.13 | NA | 0.09 |
| void _INTERNALde8c538e::gmx::__regcall3__gatherLoadUTranspose<3>(float const*, int const*, _INTERNALde8c538e::gmx::SimdFloat*, _INTERNALde8c538e::gmx::SimdFloat*, _INTERNALde8c538e::gmx::SimdFloat*) | libgromacs.so.8 | 0.5 | NA | 0.39 | NA | 128 | NA | 322.14 | NA | 0.18 | NA | 0.14 | NA |
| gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies() | libgromacs.so.8 | 0.22 | 0.27 | 0.17 | 0.17 | 128 | 128 | 0.00 | 0.00 | 0.13 | 0.16 | 0.10 | 0.10 |
| _INTERNAL3f4b4497::gmx::lincs_update_atoms_ind(_INTERNAL3f4b4497::gmx::ArrayRef<int const>, _INTERNAL3f4b4497::gmx::ArrayRef<(anonymous namespace)::AtomPair const>, float, _INTERNAL3f4b4497::gmx::ArrayRef<float const>, _INTERNAL3f4b4497::... | libgromacs.so.8 | 0.49 | NA | 0.38 | NA | 128 | NA | 87.15 | NA | 0.13 | NA | 0.10 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#38}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.49 | NA | 0.38 | NA | 128 | NA | 2879.47 | NA | 0.16 | NA | 0.12 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#48}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.48 | NA | 0.37 | NA | 128 | NA | 3243.30 | NA | 0.15 | NA | 0.12 | NA |
| _INTERNALdb05b541::spread_coefficients_bsplines_thread(pmegrid_t const*, PmeAtomComm const*, splinedata_t*, pme_spline_work*) | libgromacs.so.8 | 0.47 | NA | 0.36 | NA | 128 | NA | 986.71 | NA | 0.16 | NA | 0.13 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#62}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.46 | NA | 0.36 | NA | 128 | NA | 3832.41 | NA | 0.15 | NA | 0.12 | NA |
| mkl_dft_def_owns_cRealRecombine_32f | libmkl_def.so | NA | 0.43 | NA | 0.28 | NA | 128 | NA | 12.08 | NA | 0.17 | NA | 0.11 |
| PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.67] | libgromacs.so.8 | NA | 0.43 | NA | 0.28 | NA | 128 | NA | 517.83 | NA | 0.05 | NA | 0.03 |
| 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*... | libgromacs.so.8 | NA | 0.43 | NA | 0.27 | NA | 128 | NA | 484.43 | NA | 0.19 | NA | 0.12 |
| L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_910__par_region0_2_13 | libgromacs.so.8 | 0.42 | NA | 0.33 | NA | 128 | NA | 11.45 | NA | 0.20 | NA | 0.15 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#101}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.41 | NA | 0.32 | NA | 128 | NA | 4032.75 | NA | 0.33 | NA | 0.25 | NA |
| std::array<gmx::SimdFBool, 4> genBoolArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#42}>(nbnxm_kernel_ElecE... | libgromacs.so.8 | 0.4 | NA | 0.31 | NA | 128 | NA | 2782.98 | NA | 0.12 | NA | 0.09 | NA |
| _INTERNALdb05b541::make_bsplines(float**, float**, int, float (*) [3], int, int const*, float const*, bool) | libgromacs.so.8 | 0.38 | NA | 0.3 | NA | 128 | NA | 825.58 | NA | 0.14 | NA | 0.11 | NA |
| void gmx::LennardJonesCalculator<false, (InteractionModifiers)1>::forceSigmaEpsilon<2, false, false, 4ul, 0ul, 0ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool*, std::array&... | libgromacs.so.8 | 0.37 | NA | 0.29 | NA | 128 | NA | 3865.94 | NA | 0.13 | NA | 0.10 | NA |
| std::enable_if<std::is_same<float [3], float [3]>::value||std::is_same<float [3], float const [3]>::value, void>::type _INTERNAL12a6d422::updateMDLeapfrogSimpleSimd<(StoreUpdatedVelocities)0, (NumTempScaleValues)0, float [3]>(int, i... | libgromacs.so.8 | 0.36 | NA | 0.28 | NA | 128 | NA | 113.33 | NA | 0.11 | NA | 0.08 | NA |
| 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... | libgromacs.so.8 | NA | 0.35 | NA | 0.22 | NA | 128 | NA | 306.87 | NA | 0.08 | NA | 0.05 |
| std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNAL4f3a8b6c::(anonymous namespace)::angles<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc co... | libgromacs.so.8 | 0.35 | NA | 0.27 | NA | 128 | NA | 440.90 | NA | 0.16 | NA | 0.13 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#105}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.33 | NA | 0.26 | NA | 128 | NA | 3600.35 | NA | 0.27 | NA | 0.21 | NA |
| 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... | libgromacs.so.8 | NA | 0.31 | NA | 0.2 | NA | 128 | NA | 71.35 | NA | 0.10 | NA | 0.06 |
| L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_1010__par_region4_2_15 | libgromacs.so.8 | 0.3 | NA | 0.24 | NA | 128 | NA | 8.73 | NA | 0.12 | NA | 0.09 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#65}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.27 | NA | 0.21 | NA | 128 | NA | 3475.83 | NA | 0.11 | NA | 0.08 | NA |
| L__ZN17_INTERNAL7b844c873gmx12_GLOBAL__N_124reduceThreadForceBuffersIA4_fEEvNS0_8ArrayRefINS0_11BasicVectorIfEEEENS4_ISt10unique_ptrINS0_17ThreadForceBufferIT_EESt14default_deleteISB_EEEENS4_IKSt5arrayImLm2EEEENS4_IKiEE_170__par_region0_2_143 | libgromacs.so.8 | 0.27 | NA | 0.21 | NA | 128 | NA | 41.63 | NA | 0.10 | NA | 0.07 | NA |
| mkl_dft_def_ownscDftInv_Fact4_32fc | libmkl_def.so | NA | 0.26 | NA | 0.17 | NA | 128 | NA | 168.24 | NA | 0.07 | NA | 0.04 |
| _INTERNAL1311483b::__kmp_hyper_barrier_release(barrier_type, kmp_info*, int, int, int, void*) | libiomp5.so | 0.11 | 0.13 | 0.09 | 0.09 | 128 | 128 | 12.17 | 17.56 | 0.07 | 0.09 | 0.05 | 0.06 |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#40}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.24 | NA | 0.19 | NA | 128 | NA | 2644.59 | NA | 0.15 | NA | 0.11 | NA |
| __GI___sched_yield | libc-2.28.so | 0.12 | 0.12 | 0.09 | 0.08 | 128 | 128 | 0.00 | 0.00 | 0.05 | 0.05 | 0.04 | 0.03 |
| solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int) | libgromacs.so.8 | 0.09 | 0.14 | 0.07 | 0.09 | 128 | 128 | 4140.07 | 4190.91 | 0.03 | 0.04 | 0.02 | 0.02 |
| void gmx::lennardJonesInteractionsSigmaEpsilon<4, false, false, false, 4ul, 0ul, 0ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool const*, std::array<gmx::SimdFloat, 4> const... | libgromacs.so.8 | 0.23 | NA | 0.18 | NA | 128 | NA | 2502.98 | NA | 0.16 | NA | 0.13 | NA |
| void _INTERNALde8c538e::gmx::settleTemplate<_INTERNALde8c538e::gmx::SimdFloat, _INTERNALde8c538e::gmx::SimdFBool, 8, float const*, true, false>(_INTERNALde8c538e::gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*... | libgromacs.so.8 | 0.22 | NA | 0.17 | NA | 128 | NA | 370.00 | NA | 0.08 | NA | 0.06 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#98}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.19 | NA | 0.14 | NA | 128 | NA | 4163.55 | NA | 0.16 | NA | 0.12 | NA |
| unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone .extracted] | libgromacs.so.8 | NA | 0.19 | NA | 0.12 | NA | 100 | NA | 0.00 | NA | 0.15 | NA | 0.09 |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#110}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.19 | NA | 0.15 | NA | 128 | NA | 2453.40 | NA | 0.15 | NA | 0.12 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#108}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.18 | NA | 0.14 | NA | 128 | NA | 3244.68 | NA | 0.14 | NA | 0.11 | NA |
| mkl_dft_def_ownscDftFwd_Prime8_32fc | libmkl_def.so | NA | 0.18 | NA | 0.11 | NA | 128 | NA | 941.31 | NA | 0.09 | NA | 0.06 |
| pbc_dx_aiuc(t_pbc const*, float const*, float const*, float*) | libgromacs.so.8 | 0.07 | 0.09 | 0.06 | 0.06 | 128 | 128 | 295.34 | 384.25 | 0.03 | 0.03 | 0.02 | 0.02 |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#122}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.16 | NA | 0.13 | NA | 128 | NA | 3083.47 | NA | 0.14 | NA | 0.11 | NA |
| unwrap_periodic_pmegrid(gmx_pme_t*, float*) | libgromacs.so.8 | 0.14 | 0.01 | 0.11 | 0.01 | 118 | 1 | 0.00 | 0.00 | 0.11 | 0.00 | 0.09 | 0.00 |
| _INTERNAL15b136ef::makeClusterListSimd4xn(Nbnxm::Grid const&, NbnxnPairlistCpu*, int, int, int, bool, float const*, float, float, int*) | libgromacs.so.8 | 0.15 | NA | 0.11 | NA | 128 | NA | 657.13 | NA | 0.03 | NA | 0.02 | NA |
| std::array<gmx::SimdFBool, 4> genBoolArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#102}>(nbnxm_kernel_Elec... | libgromacs.so.8 | 0.15 | NA | 0.12 | NA | 128 | NA | 3786.99 | NA | 0.13 | NA | 0.10 | NA |
| void gmx::LennardJonesCalculator<true, (InteractionModifiers)1>::forceSigmaEpsilon<2, false, false, 4ul, 0ul, 2ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool*, std::array&l... | libgromacs.so.8 | 0.14 | NA | 0.11 | NA | 128 | NA | 2408.56 | NA | 0.05 | NA | 0.04 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#47}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.14 | NA | 0.11 | NA | 128 | NA | 3097.99 | NA | 0.05 | NA | 0.04 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#39}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.14 | NA | 0.11 | NA | 128 | NA | 2689.16 | NA | 0.05 | NA | 0.04 | NA |
| std::array<gmx::SimdFloat, 4ul>::array() | libgromacs.so.8 | 0.14 | NA | 0.11 | NA | 128 | NA | 3062.57 | NA | 0.03 | NA | 0.02 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#67}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.13 | NA | 0.1 | NA | 128 | NA | 3515.62 | NA | 0.05 | NA | 0.04 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#66}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.13 | NA | 0.1 | NA | 128 | NA | 3413.93 | NA | 0.06 | NA | 0.05 | NA |
| _INTERNAL3f4b4497::gmx::__regcall3__calc_dr_x_xp_simd(int, int, _INTERNAL3f4b4497::gmx::ArrayRef<(anonymous namespace)::AtomPair const>, float const (*) [3], float const (*) [3], float const*, float const*, float const*, float (*) [3], float*, floa... | libgromacs.so.8 | 0.13 | NA | 0.1 | NA | 128 | NA | 361.15 | NA | 0.05 | NA | 0.04 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#41}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.13 | NA | 0.1 | NA | 128 | NA | 2000.72 | NA | 0.05 | NA | 0.04 | NA |
| void _INTERNAL15b136ef::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, ... | libgromacs.so.8 | 0.13 | NA | 0.1 | NA | 128 | NA | 649.65 | NA | 0.03 | NA | 0.02 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#46}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.12 | NA | 0.1 | NA | 128 | NA | 2580.73 | NA | 0.05 | NA | 0.04 | NA |
| void gmx::lennardJonesInteractionsSigmaEpsilon<4, false, false, true, 4ul, 0ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool const*, std::array<gmx::SimdFloat, 4> const&... | libgromacs.so.8 | 0.12 | NA | 0.09 | NA | 128 | NA | 1880.58 | NA | 0.09 | NA | 0.07 | NA |
| mkl_dft_def_owns_cRadix4InvNorm_32fc | libmkl_def.so | NA | 0.11 | NA | 0.07 | NA | 128 | NA | 1083.58 | NA | 0.06 | NA | 0.04 |
| std::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>... | libgromacs.so.8 | 0.05 | 0.06 | 0.04 | 0.04 | 126 | 126 | 0.00 | 0.00 | 0.02 | 0.03 | 0.02 | 0.02 |
| _INTERNAL3f4b4497::gmx::do_lincs(_INTERNAL3f4b4497::gmx::ArrayRefWithPadding<_INTERNAL3f4b4497::gmx::BasicVector<float> const>, _INTERNAL3f4b4497::gmx::ArrayRefWithPadding<_INTERNAL3f4b4497::gmx::BasicVector<float> >, float const (*... | libgromacs.so.8 | 0.11 | NA | 0.09 | NA | 128 | NA | 166.36 | NA | 0.04 | NA | 0.03 | NA |
| mkl_dft_def_owns_cCcsRecombine_32f | libmkl_def.so | NA | 0.1 | NA | 0.06 | NA | 128 | NA | 558.67 | NA | 0.17 | NA | 0.10 |
| (anonymous namespace)::dih_angle_simd(float const (*) [3], int const*, int const*, int const*, int const*, float const*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*,... | libgromacs.so.8 | NA | 0.1 | NA | 0.06 | NA | 128 | NA | 2195.84 | NA | 0.03 | NA | 0.02 |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#44}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.1 | NA | 0.08 | NA | 128 | NA | 2733.20 | NA | 0.04 | NA | 0.03 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#45}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.1 | NA | 0.08 | NA | 128 | NA | 2427.15 | NA | 0.04 | NA | 0.03 | NA |
| unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone .extracted.30] | libgromacs.so.8 | NA | 0.09 | NA | 0.06 | NA | 99 | NA | 0.00 | NA | 0.06 | NA | 0.04 |
| void do_pairs_simple<gmx::SimdFloat, 8, float const*>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float const*, gmx::ArrayRef<float const>, float) | libgromacs.so.8 | NA | 0.09 | NA | 0.06 | NA | 128 | NA | 1051.10 | NA | 0.03 | NA | 0.02 |
| _INTERNAL4f3a8b6c::(anonymous namespace)::dih_angle_simd(float const (*) [3], int const*, int const*, int const*, int const*, float const*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat... | libgromacs.so.8 | 0.09 | NA | 0.07 | NA | 128 | NA | 1871.04 | NA | 0.03 | NA | 0.02 | NA |
| std::array<gmx::SimdFloat, 4ul>::operator[](unsigned long) | libgromacs.so.8 | 0.09 | NA | 0.07 | NA | 128 | NA | 2359.28 | NA | 0.02 | NA | 0.02 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#54}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.09 | NA | 0.07 | NA | 128 | NA | 4403.43 | NA | 0.04 | NA | 0.03 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#120}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.09 | NA | 0.07 | NA | 128 | NA | 2630.76 | NA | 0.08 | NA | 0.06 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#125}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.09 | NA | 0.07 | NA | 128 | NA | 3385.67 | NA | 0.08 | NA | 0.06 | NA |
| gmx::ThreadForceBuffer<float [4]>::resizeBufferAndClearMask(int) | libgromacs.so.8 | 0.04 | 0.04 | 0.03 | 0.02 | 121 | 120 | 0.00 | 0.00 | 0.02 | 0.02 | 0.02 | 0.02 |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#64}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.08 | NA | 0.07 | NA | 128 | NA | 3424.59 | NA | 0.03 | NA | 0.03 | NA |
| mkl_dft_def_ownscDftFwd_Fact3_32fc | libmkl_def.so | NA | 0.08 | NA | 0.05 | NA | 128 | NA | 1407.42 | NA | 0.03 | NA | 0.02 |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#63}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.08 | NA | 0.07 | NA | 128 | NA | 3405.40 | NA | 0.03 | NA | 0.03 | NA |
| L__ZN17_INTERNALa39f500417setupForceOutputsEP18ForceHelperBuffersN3gmx19ArrayRefWithPaddingINS2_11BasicVectorIfEEEERKNS2_22DomainLifetimeWorkloadERKNS2_12StepWorkloadEbP13gmx_wallcycle_473__par_region0_2_176 | libgromacs.so.8 | 0.08 | NA | 0.06 | NA | 128 | NA | 0.00 | NA | 0.03 | NA | 0.02 | NA |
| mkl_dft_def_ownscDftInv_Fact3_32fc | libmkl_def.so | NA | 0.08 | NA | 0.05 | NA | 128 | NA | 642.41 | NA | 0.03 | NA | 0.02 |
| void _INTERNALa3e46b5f::do_pairs_simple<gmx::SimdFloat, 8, float const*>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float const*, gmx::ArrayRef<float const>, float) | libgromacs.so.8 | 0.07 | NA | 0.06 | NA | 128 | NA | 1047.53 | NA | 0.02 | NA | 0.02 | NA |
| mkl_dft_def_ownscDftFwd_Fact4_32fc | libmkl_def.so | NA | 0.07 | NA | 0.04 | NA | 128 | NA | 1555.39 | NA | 0.03 | NA | 0.02 |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#99}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.07 | NA | 0.05 | NA | 128 | NA | 4289.23 | NA | 0.06 | NA | 0.05 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#67}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.07 | NA | 0.06 | NA | 128 | NA | 1448.16 | NA | 0.03 | NA | 0.03 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#127}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.07 | NA | 0.05 | NA | 128 | NA | 3616.82 | NA | 0.06 | NA | 0.04 | NA |
| __kmp_invoke_microtask | libiomp5.so | 0.04 | 0.03 | 0.03 | 0.02 | 128 | 128 | 56.63 | 31.19 | 0.02 | 0.02 | 0.02 | 0.01 |
| __kmp_launch_thread | libiomp5.so | 0.03 | 0.04 | 0.02 | 0.02 | 126 | 127 | 9.44 | 15.56 | 0.02 | 0.02 | 0.01 | 0.01 |
| _ZN12_GLOBAL__N_124do_dih_fup_noshiftf_simdEPKiS1_S1_S1_N3gmx9SimdFloatES3_S3_S3_S3_S3_S3_S3_PA4_f@@296 | libgromacs.so.8 | NA | 0.06 | NA | 0.04 | NA | 128 | NA | 2305.78 | NA | 0.02 | NA | 0.01 |
| 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*,... | libgromacs.so.8 | NA | 0.06 | NA | 0.04 | NA | 128 | NA | 2298.65 | NA | 0.02 | NA | 0.02 |
| __kmp_yield | libiomp5.so | 0.03 | 0.03 | 0.02 | 0.02 | 127 | 120 | 0.00 | 0.00 | 0.01 | 0.02 | 0.01 | 0.01 |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#62}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.06 | NA | 0.05 | NA | 128 | NA | 2007.95 | NA | 0.03 | NA | 0.02 | NA |
| _INTERNAL3f4b4497::gmx::__regcall3__calc_dist_iter_simd(int, int, _INTERNAL3f4b4497::gmx::ArrayRef<(anonymous namespace)::AtomPair const>, float const (*) [3], float const*, float const*, float const*, float, float*, float*, bool*) | libgromacs.so.8 | 0.06 | NA | 0.05 | NA | 128 | NA | 386.70 | NA | 0.03 | NA | 0.02 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#101}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0.06 | NA | 0.05 | NA | 128 | NA | 2192.45 | NA | 0.05 | NA | 0.04 | NA |
| std::array<gmx::SimdFloat, 2> genArr<2, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#60}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.05 | NA | 0.04 | NA | 128 | NA | 3494.48 | NA | 0.02 | NA | 0.02 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#126}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.05 | NA | 0.04 | NA | 128 | NA | 3203.13 | NA | 0.04 | NA | 0.03 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#11}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.05 | NA | 0.04 | NA | 128 | NA | 3475.67 | NA | 0.02 | NA | 0.02 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#48}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.05 | NA | 0.04 | NA | 128 | NA | 3048.04 | NA | 0.03 | NA | 0.02 | NA |
| calc_ke_part_normal(gmx::ArrayRef<gmx::BasicVector<float> const>, t_grpopts const*, t_mdatoms const*, gmx_ekindata_t*, t_nrnb*, bool) [clone .extracted] | libgromacs.so.8 | NA | 0.05 | NA | 0.03 | NA | 128 | NA | 337.50 | NA | 0.02 | NA | 0.02 |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#161}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.05 | NA | 0.04 | NA | 118 | NA | 1792.90 | NA | 0.03 | NA | 0.02 | NA |
| std::array<gmx::SimdFloat, 2> genArr<2, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#59}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.05 | NA | 0.04 | NA | 128 | NA | 3575.95 | NA | 0.02 | NA | 0.02 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#38}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.05 | NA | 0.04 | NA | 128 | NA | 1375.30 | NA | 0.02 | NA | 0.02 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#165}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.05 | NA | 0.04 | NA | 117 | NA | 1589.52 | NA | 0.03 | NA | 0.02 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#107}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.05 | NA | 0.04 | NA | 128 | NA | 3158.19 | NA | 0.04 | NA | 0.03 | NA |
| std::array<gmx::SimdFloat, 4ul>::operator[](unsigned long) const | libgromacs.so.8 | 0.05 | NA | 0.04 | NA | 128 | NA | 1405.55 | NA | 0.02 | NA | 0.02 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#106}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.05 | NA | 0.04 | NA | 128 | NA | 3384.26 | NA | 0.04 | NA | 0.03 | NA |
| std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNAL4f3a8b6c::(anonymous namespace)::pdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc con... | libgromacs.so.8 | 0.05 | NA | 0.04 | NA | 128 | NA | 2247.72 | NA | 0.02 | NA | 0.02 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#114}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0.05 | NA | 0.04 | NA | 128 | NA | 2721.28 | NA | 0.04 | NA | 0.03 | NA |
| gmx::ThreadedForceBuffer<float [4]>::setupReduction() | libgromacs.so.8 | 0.02 | 0.02 | 0.02 | 0.01 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
| dih_angle(float const*, float const*, float const*, float const*, t_pbc const*, float*, float*, float*, float*, float*, int*, int*, int*) | libgromacs.so.8 | 0.02 | 0.02 | 0.02 | 0.01 | 128 | 128 | 332.44 | 613.63 | 0.01 | 0.01 | 0.01 | 0.01 |
| std::array<gmx::SimdFBool, 4> genBoolArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#42}>(nbnxm_kernel_Elec... | libgromacs.so.8 | 0.04 | NA | 0.03 | NA | 128 | NA | 2519.11 | NA | 0.02 | NA | 0.01 | NA |
| kmp_flag_native<unsigned long long, (flag_type)1, true>::done_check() | libiomp5.so | 0.02 | 0.02 | 0.02 | 0.02 | 128 | 128 | 185.75 | 210.32 | 0.05 | 0.06 | 0.04 | 0.04 |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#124}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.04 | NA | 0.03 | NA | 128 | NA | 3289.75 | NA | 0.04 | NA | 0.03 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#65}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.04 | NA | 0.03 | NA | 128 | NA | 1719.56 | NA | 0.02 | NA | 0.01 | NA |
| mkl_dft_def_ippsFFTFwd_RToPerm_32f | libmkl_def.so | NA | 0.04 | NA | 0.03 | NA | 128 | NA | 13.96 | NA | 0.02 | NA | 0.02 |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#71}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.04 | NA | 0.03 | NA | 128 | NA | 3573.04 | NA | 0.04 | NA | 0.03 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#100}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.04 | NA | 0.03 | NA | 128 | NA | 4435.72 | NA | 0.05 | NA | 0.04 | NA |
| _INTERNAL4f3a8b6c::(anonymous namespace)::__regcall3__do_dih_fup_noshiftf_simd(int const*, int const*, int const*, int const*, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, f... | libgromacs.so.8 | 0.04 | NA | 0.03 | NA | 128 | NA | 3198.21 | NA | 0.02 | NA | 0.02 | NA |
| __kmp_join_barrier(int) | libiomp5.so | 0.02 | 0.02 | 0.01 | 0.01 | 128 | 128 | 443.63 | 1007.14 | 0.01 | 0.02 | 0.01 | 0.01 |
| L__ZN17_INTERNAL96cc836619calc_ke_part_normalEN3gmx8ArrayRefIKNS0_11BasicVectorIfEEEEPK9t_grpoptsPK9t_mdatomsP14gmx_ekindata_tP6t_nrnbb_113__par_region0_2_24 | libgromacs.so.8 | 0.04 | NA | 0.03 | NA | 128 | NA | 396.00 | NA | 0.02 | NA | 0.02 | NA |
| _INTERNAL3af9637d::gmx::SimdFloat _INTERNAL3af9637d::gmx::__regcall3__exp<(MathOptimization)0>(_INTERNAL3af9637d::gmx::SimdFloat) | libgromacs.so.8 | 0.04 | NA | 0.03 | NA | 128 | NA | 4797.56 | NA | 0.02 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#105}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0.04 | NA | 0.03 | NA | 128 | NA | 2650.74 | NA | 0.04 | NA | 0.03 | NA |
| reduceForces(nbnxn_atomdata_t*, gmx::AtomLocality, Nbnxm::GridSet const&, float (*) [3]) [clone .extracted] | libgromacs.so.8 | NA | 0.04 | NA | 0.03 | NA | 128 | NA | 96.46 | NA | 0.02 | NA | 0.01 |
| std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, false, false, true, 4ul, 0ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool const*... | libgromacs.so.8 | 0.04 | NA | 0.03 | NA | 128 | NA | 1479.48 | NA | 0.03 | NA | 0.03 | NA |
| float _INTERNALa3e46b5f::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 const>, gmx::ArrayRef<float c... | libgromacs.so.8 | 0.04 | NA | 0.03 | NA | 128 | NA | 292.46 | NA | 0.02 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#104}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.04 | NA | 0.03 | NA | 128 | NA | 3619.34 | NA | 0.03 | NA | 0.02 | NA |
| Nbnxm::Grid::fillCell(Nbnxm::GridSetData*, nbnxn_atomdata_t*, int, int, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, Nbnxm::BoundingBox*) | libgromacs.so.8 | 0.02 | 0.01 | 0.01 | 0.01 | 82 | 75 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 |
| DftiComputeBackward | libmkl_core.so | NA | 0.03 | NA | 0.02 | NA | 128 | NA | 1024.01 | NA | 0.01 | NA | 0.01 |
| void 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> > const&, gmx:... | libgromacs.so.8 | NA | 0.03 | NA | 0.02 | NA | 118 | NA | 0.00 | NA | 0.02 | NA | 0.01 |
| DftiComputeForward | libmkl_core.so | NA | 0.03 | NA | 0.02 | NA | 128 | NA | 421.26 | NA | 0.01 | NA | 0.01 |
| bond_angle(float const*, float const*, float const*, t_pbc const*, float*, float*, float*, int*, int*) | libgromacs.so.8 | 0.01 | 0.02 | 0.01 | 0.01 | 128 | 128 | 287.88 | 506.13 | 0.01 | 0.01 | 0.01 | 0.01 |
| std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, false, false, true, 4ul, 0ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool const*... | libgromacs.so.8 | 0.03 | NA | 0.02 | NA | 128 | NA | 2053.15 | NA | 0.02 | NA | 0.02 | NA |
| std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNAL4f3a8b6c::(anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3],... | libgromacs.so.8 | 0.03 | NA | 0.02 | NA | 128 | NA | 413.57 | NA | 0.02 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#55}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.03 | NA | 0.03 | NA | 128 | NA | 3216.12 | NA | 0.02 | NA | 0.01 | NA |
| std::enable_if<(true)&&(((KernelLayout)0)==((KernelLayout)0)), std::array<gmx::SimdFBool, 4ul> >::type gmx::loadSimdPairInteractionMasks<true, (KernelLayout)0>(int, gmx::SimdFInt32*) | libgromacs.so.8 | 0.03 | NA | 0.02 | NA | 128 | NA | 3925.86 | NA | 0.02 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#1}>(nbnxm_kernel_ElecEw_Vdw... | libgromacs.so.8 | 0.03 | NA | 0.03 | NA | 128 | NA | 2134.07 | NA | 0.02 | NA | 0.01 | NA |
| void gmx::LennardJonesCalculator<false, (InteractionModifiers)1>::forceSigmaEpsilon<2, true, false, 4ul, 4ul, 0ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool*, std::array&l... | libgromacs.so.8 | 0.03 | NA | 0.03 | NA | 128 | NA | 2725.45 | NA | 0.02 | NA | 0.01 | NA |
| void gmx::lennardJonesInteractionsSigmaEpsilon<4, true, false, false, 4ul, 4ul, 0ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool const*, std::array<gmx::SimdFloat, 4> const&... | libgromacs.so.8 | 0.03 | NA | 0.03 | NA | 128 | NA | 2939.29 | NA | 0.03 | NA | 0.02 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#15}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.03 | NA | 0.03 | NA | 128 | NA | 2784.12 | NA | 0.02 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#123}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.03 | NA | 0.02 | NA | 128 | NA | 3824.55 | NA | 0.03 | NA | 0.02 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#75}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.03 | NA | 0.02 | NA | 128 | NA | 3585.36 | NA | 0.03 | NA | 0.02 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#53}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.03 | NA | 0.02 | NA | 128 | NA | 5683.69 | NA | 0.02 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#2}>(nbnxm_kernel_ElecEw_Vdw... | libgromacs.so.8 | 0.03 | NA | 0.02 | NA | 128 | NA | 3413.79 | NA | 0.02 | NA | 0.01 | NA |
| _INTERNAL15b136ef::setExclusionsForIEntry(Nbnxm::GridSet const&, NbnxnPairlistCpu*, bool, int, gmx::ListOfLists<int> const&) | libgromacs.so.8 | 0.03 | NA | 0.02 | NA | 128 | NA | 892.51 | NA | 0.02 | NA | 0.01 | NA |
| _INTERNALe5e96b6b::nbnxn_atomdata_add_nbat_f_to_f_part(Nbnxm::GridSet const&, nbnxn_atomdata_t const&, nbnxn_atomdata_output_t const&, int, int, float (*) [3]) | libgromacs.so.8 | 0.03 | NA | 0.02 | NA | 128 | NA | 142.06 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#4}>(nbnxm_kernel_ElecEw_Vdw... | libgromacs.so.8 | 0.03 | NA | 0.02 | NA | 128 | NA | 2945.54 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#64}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.03 | NA | 0.02 | NA | 128 | NA | 1804.83 | NA | 0.02 | NA | 0.01 | NA |
| __kmpc_masked | libiomp5.so | NA | 0.02 | NA | 0.01 | NA | 108 | NA | 0.00 | NA | 0.01 | NA | 0.01 |
| 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... | libgromacs.so.8 | NA | 0.02 | NA | 0.01 | NA | 128 | NA | 374.25 | NA | 0.01 | NA | 0.01 |
| mkl_dft_def_ippsFFTInv_CCSToR_32f | libmkl_def.so | NA | 0.02 | NA | 0.01 | NA | 128 | NA | 855.39 | NA | 0.03 | NA | 0.02 |
| setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&) [clone .extracted] | libgromacs.so.8 | NA | 0.02 | NA | 0.01 | NA | 113 | NA | 0.00 | NA | 0.01 | NA | 0.01 |
| 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... | libgromacs.so.8 | NA | 0.02 | NA | 0.01 | NA | 128 | NA | 330.75 | NA | 0.01 | NA | 0.01 |
| 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>, gmx::ArrayRef<float con... | libgromacs.so.8 | NA | 0.02 | NA | 0.01 | NA | 128 | NA | 421.38 | NA | 0.01 | NA | 0.01 |
| 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>) | libgromacs.so.8 | 0.01 | 0.01 | 0 | 0 | 93 | 102 | NA | NA | 0.01 | 0.01 | 0.01 | 0.00 |
| __kmp_invoke_task_func | libiomp5.so | 0.01 | 0.01 | 0 | 0.01 | 128 | 128 | NA | 230.50 | 0.01 | 0.01 | 0.00 | 0.01 |
| __kmpc_for_static_fini | libiomp5.so | 0.01 | 0.01 | 0 | 0 | 128 | 128 | NA | NA | 0.01 | 0.01 | 0.00 | 0.01 |
| copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int) | libgromacs.so.8 | 0.01 | 0.01 | 0 | 0 | 128 | 120 | NA | NA | 0.01 | 0.01 | 0.00 | 0.01 |
| set_pbc_simd(t_pbc const*, float*) | libgromacs.so.8 | 0.01 | 0.01 | 0.01 | 0.01 | 127 | 128 | 53.75 | 101.50 | 0.01 | 0.01 | 0.01 | 0.01 |
| 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>) | libgromacs.so.8 | 0 | 0.02 | 0 | 0.01 | 45 | 87 | NA | 0.00 | 0.00 | 0.01 | 0.00 | 0.01 |
| __libm_sincosf_e7 | gmx | NA | 0.02 | NA | 0.01 | NA | 128 | NA | 392.75 | NA | 0.01 | NA | 0.01 |
| mkl_dft_def_ownscDftFwd_PrimeFact_32fc | libmkl_def.so | NA | 0.02 | NA | 0.01 | NA | 128 | NA | 974.26 | NA | 0.01 | NA | 0.01 |
| int 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> const>, Int... | libgromacs.so.8 | NA | 0.02 | NA | 0.01 | NA | 99 | NA | 0.00 | NA | 0.02 | NA | 0.01 |
| __libm_atan2f_l9 | gmx | NA | 0.02 | NA | 0.01 | NA | 128 | NA | 594.26 | NA | 0.01 | NA | 0.01 |
| atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*) [clone .extracted] | libgromacs.so.8 | NA | 0.02 | NA | 0.01 | NA | 119 | NA | 3.63 | NA | 0.01 | NA | 0.01 |
| sum_forces(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> const>) [clone .extracted] | libgromacs.so.8 | NA | 0.02 | NA | 0.01 | NA | 128 | NA | 60.00 | NA | 0.01 | NA | 0.01 |
| void do_dih_fup<(BondedKernelFlavor)2>(int, int, int, int, float, float*, float*, float*, float*, float*, float (*) [4], float (*) [3], t_pbc const*, float const (*) [3], int, int, int) | libgromacs.so.8 | NA | 0.02 | NA | 0.01 | NA | 128 | NA | 437.76 | NA | 0.01 | NA | 0.01 |
| __kmp_barrier | libiomp5.so | 0.01 | 0.01 | 0.01 | 0.01 | 128 | 128 | 350.88 | 262.50 | 0.01 | 0.02 | 0.01 | 0.01 |
| __kmp_init_implicit_task | libiomp5.so | 0.01 | 0.01 | 0.01 | 0.01 | 98 | 96 | 0.00 | 0.38 | 0.01 | 0.01 | 0.01 | 0.00 |
| gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef<float const>, float, bool, t_commrec const*, gmx::Lincs*) [clone .extracted] | libgromacs.so.8 | NA | 0.02 | NA | 0.01 | NA | 119 | NA | 0.00 | NA | 0.01 | NA | 0.01 |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#182}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.02 | NA | 0.02 | NA | 116 | NA | 1563.14 | NA | 0.02 | NA | 0.01 | NA |
| gmx_fft_1d(gmx_fft*, gmx_fft_direction, void*, void*) | libgromacs.so.8 | 0 | 0.02 | 0 | 0.01 | 127 | 128 | NA | 960.51 | 0.00 | 0.01 | 0.00 | 0.01 |
| evaluate_single(float, float, float const*, float, float, float, float, float*, float*) | libgromacs.so.8 | NA | 0.02 | NA | 0.01 | NA | 128 | NA | 528.01 | NA | 0.01 | NA | 0.01 |
| mkl_dft_def_ownscDftInv_PrimeFact_32fc | libmkl_def.so | NA | 0.02 | NA | 0.01 | NA | 128 | NA | 1248.39 | NA | 0.01 | NA | 0.01 |
| rebalanceSimpleLists(gmx::ArrayRef<NbnxnPairlistCpu const>, gmx::ArrayRef<NbnxnPairlistCpu>, gmx::ArrayRef<PairsearchWork>) [clone .extracted] | libgromacs.so.8 | NA | 0.02 | NA | 0.01 | NA | 116 | NA | 0.00 | NA | 0.02 | NA | 0.01 |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#119}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.02 | NA | 0.02 | NA | 128 | NA | 1833.65 | NA | 0.02 | NA | 0.02 | NA |
| std::enable_if<std::is_same<float [3], float [3]>::value||std::is_same<float [3], float const [3]>::value, void>::type _INTERNAL12a6d422::updateMDLeapfrogSimple<(StoreUpdatedVelocities)0, (NumTempScaleValues)2, (ParrinelloRahmanVelocit... | libgromacs.so.8 | 0.02 | NA | 0.02 | NA | 128 | NA | 198.19 | NA | 0.02 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, false, false, true, 4ul, 0ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool const*... | libgromacs.so.8 | 0.02 | NA | 0.01 | NA | 128 | NA | 2088.90 | NA | 0.02 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#92}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.02 | NA | 0.01 | NA | 128 | NA | 3842.92 | NA | 0.02 | NA | 0.02 | NA |
| std::array<gmx::SimdFloat, 2> genArr<2, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#59}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.02 | NA | 0.01 | NA | 128 | NA | 4080.80 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#106}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0.02 | NA | 0.01 | NA | 128 | NA | 4150.67 | NA | 0.02 | NA | 0.01 | NA |
| void _INTERNALed97dceb::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... | libgromacs.so.8 | 0.02 | NA | 0.02 | NA | 124 | NA | 0.00 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFBool, 4> genBoolArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#102}>(nbnxm_kernel_Ele... | libgromacs.so.8 | 0.02 | NA | 0.01 | NA | 128 | NA | 3304.79 | NA | 0.02 | NA | 0.01 | NA |
| _INTERNAL87cdf56b::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>, gmx::Ar... | libgromacs.so.8 | 0.02 | NA | 0.01 | NA | 128 | NA | 282.88 | NA | 0.01 | NA | 0.01 | NA |
| _INTERNAL15b136ef::closeIEntry(NbnxnPairlistCpu*, int, bool, float, int, int) | libgromacs.so.8 | 0.02 | NA | 0.01 | NA | 128 | NA | 965.64 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#39}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.02 | NA | 0.01 | NA | 128 | NA | 1946.40 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, false, false, true, 4ul, 0ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool const*... | libgromacs.so.8 | 0.02 | NA | 0.01 | NA | 128 | NA | 3374.92 | NA | 0.02 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#78}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.02 | NA | 0.01 | NA | 128 | NA | 4431.05 | NA | 0.02 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, false, false, true, 4ul, 0ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool const*... | libgromacs.so.8 | 0.02 | NA | 0.01 | NA | 128 | NA | 2624.03 | NA | 0.02 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#98}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.02 | NA | 0.01 | NA | 128 | NA | 2890.28 | NA | 0.02 | NA | 0.02 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#108}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0.02 | NA | 0.02 | NA | 128 | NA | 2514.59 | NA | 0.02 | NA | 0.02 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#32}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.02 | NA | 0.02 | NA | 128 | NA | 2840.85 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#80}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.02 | NA | 0.01 | NA | 128 | NA | 4178.05 | NA | 0.02 | NA | 0.02 | NA |
| int _INTERNALed97dceb::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... | libgromacs.so.8 | 0.02 | NA | 0.01 | NA | 97 | NA | 0.00 | NA | 0.02 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#122}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0.02 | NA | 0.02 | NA | 128 | NA | 1555.08 | NA | 0.02 | NA | 0.02 | NA |
| gmx::DiagonalMasker<4, (KernelLayout)0, (gmx::DiagonalMaskType)1>::maskArray(int, int, std::array<gmx::SimdFBool, 4ul>&) const | libgromacs.so.8 | 0.02 | NA | 0.01 | NA | 128 | NA | 4266.30 | NA | 0.01 | NA | 0.01 | NA |
| __kmpc_master | libiomp5.so | 0.02 | NA | 0.01 | NA | 92 | NA | 0.00 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#8}>(nbnxm_kernel_ElecEw_Vdw... | libgromacs.so.8 | 0.02 | NA | 0.01 | NA | 128 | NA | 5018.44 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#16}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.02 | NA | 0.01 | NA | 128 | NA | 3721.92 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#158}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.02 | NA | 0.02 | NA | 117 | NA | 1625.14 | NA | 0.02 | NA | 0.01 | NA |
| void gmx::LennardJonesCalculator<false, (InteractionModifiers)1>::forceSigmaEpsilon<4, false, false, 4ul, 0ul, 0ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool*, std::array&... | libgromacs.so.8 | 0.02 | NA | 0.02 | NA | 128 | NA | 2032.65 | NA | 0.02 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#18}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.02 | NA | 0.02 | NA | 128 | NA | 2442.28 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#168}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.02 | NA | 0.02 | NA | 117 | NA | 1782.58 | NA | 0.02 | NA | 0.01 | NA |
| void _INTERNALde8c538e::gmx::settleTemplate<_INTERNALde8c538e::gmx::SimdFloat, _INTERNALde8c538e::gmx::SimdFBool, 8, float const*, true, true>(_INTERNALde8c538e::gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*,... | libgromacs.so.8 | 0.02 | NA | 0.02 | NA | 128 | NA | 428.69 | NA | 0.01 | NA | 0.01 | NA |
| __libm_atan2f_l9 | libgromacs.so.8 | 0.02 | NA | 0.01 | NA | 128 | NA | 483.63 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#20}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.02 | NA | 0.02 | NA | 128 | NA | 2760.78 | NA | 0.01 | NA | 0.01 | NA |
| std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNAL4f3a8b6c::(anonymous namespace)::angles<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3]... | libgromacs.so.8 | 0.02 | NA | 0.01 | NA | 128 | NA | 292.13 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFBool, 4> genBoolArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#162}>(nbnxm_kernel_Elec... | libgromacs.so.8 | 0.02 | NA | 0.02 | NA | 116 | NA | 1323.27 | NA | 0.02 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, false, false, true, 4ul, 0ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool const*... | libgromacs.so.8 | 0.02 | NA | 0.02 | NA | 128 | NA | 1407.45 | NA | 0.02 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#47}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.02 | NA | 0.01 | NA | 128 | NA | 3627.04 | NA | 0.01 | NA | 0.01 | NA |
| 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... | libgromacs.so.8 | 0.02 | NA | 0.01 | NA | 115 | NA | 5.00 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFBool, 4> genBoolArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#12}>(nbnxm_kernel_ElecE... | libgromacs.so.8 | 0.02 | NA | 0.01 | NA | 128 | NA | 4314.93 | NA | 0.01 | NA | 0.01 | NA |
| L__ZN17_INTERNAL3f4b44973gmx18lincs_thread_setupEPNS0_5LincsEi_1745__par_region2_2_126 | libgromacs.so.8 | 0.02 | NA | 0.01 | NA | 107 | NA | 0.00 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#68}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.02 | NA | 0.01 | NA | 128 | NA | 3915.42 | NA | 0.02 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#66}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.02 | NA | 0.02 | NA | 128 | NA | 1547.21 | NA | 0.01 | NA | 0.01 | NA |
| dd_redistribute_cg(_IO_FILE*, long, gmx_domdec_t*, int*, t_state*, t_forcerec*, t_nrnb*, int*) [clone .extracted] | libgromacs.so.8 | NA | 0.01 | NA | 0 | NA | 71 | NA | NA | NA | 0.01 | NA | 0.00 |
| mkl_dft_def_ippsDFTFwd_RToCCS_32f | libmkl_def.so | NA | 0.01 | NA | 0 | NA | 94 | NA | NA | NA | 0.01 | NA | 0.01 |
| 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*... | libgromacs.so.8 | NA | 0.01 | NA | 0 | NA | 101 | NA | NA | NA | 0.01 | NA | 0.01 |
| setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&) | libgromacs.so.8 | NA | 0.01 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| gmx_pme_do(gmx_pme_t*, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<flo... | libgromacs.so.8 | NA | 0.01 | NA | 0 | NA | 128 | NA | NA | NA | 0.01 | NA | 0.00 |
| 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> >*) | libgromacs.so.8 | NA | 0.01 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) | libgromacs.so.8 | NA | 0.01 | NA | 0.01 | NA | 1 | NA | 0.00 | NA | 0.00 | NA | 0.00 |
| __kmpc_for_static_init_4u | libiomp5.so | 0.01 | NA | 0 | NA | 74 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#74}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.01 | NA | 0 | NA | 128 | NA | NA | NA | 0.01 | NA | 0.01 | NA |
| __kmpc_barrier | libiomp5.so | 0 | 0.01 | 0 | 0 | 128 | 128 | NA | NA | 0.00 | 0.01 | 0.00 | 0.00 |
| mkl_dft_def_ippsDFTInv_CCSToR_32f | libmkl_def.so | NA | 0.01 | NA | 0 | NA | 128 | NA | NA | NA | 0.01 | NA | 0.00 |
| __kmp_finish_implicit_task | libiomp5.so | 0 | 0.01 | 0 | 0 | 128 | 128 | NA | NA | 0.01 | 0.01 | 0.00 | 0.01 |
| Nbnxm::Grid::setCellIndices(int, int, Nbnxm::GridSetData*, gmx::ArrayRef<Nbnxm::GridWork>, gmx::Range<int>, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, int, nbnxn_atomdata_t*) | libgromacs.so.8 | 0 | 0.01 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| _intel_fast_memcpy | gmx | 0 | 0.01 | 0 | 0 | 128 | 120 | NA | NA | 0.01 | 0.01 | 0.01 | 0.01 |
| __libm_acosf_l9 | gmx | NA | 0.01 | NA | 0.01 | NA | 128 | NA | 198.00 | NA | 0.01 | NA | 0.01 |
| 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... | libgromacs.so.8 | 0 | 0.01 | 0 | 0.01 | 122 | 128 | NA | 379.88 | 0.00 | 0.01 | 0.00 | 0.01 |
| clearRVecs(gmx::ArrayRef<gmx::BasicVector<float> >, bool) [clone .extracted] | libgromacs.so.8 | NA | 0.01 | NA | 0.01 | NA | 82 | NA | 0.00 | NA | 0.01 | NA | 0.00 |
| mkl_dft_def_owns_cRealRecombine_32f@plt | libmkl_def.so | NA | 0.01 | NA | 0.01 | NA | 115 | NA | 11.25 | NA | 0.01 | NA | 0.01 |
| gmx::lincs_thread_setup(gmx::Lincs*, int) [clone .extracted.52] | libgromacs.so.8 | NA | 0.01 | NA | 0.01 | NA | 105 | NA | 0.00 | NA | 0.01 | NA | 0.00 |
| __kmpc_for_static_init_4 | libiomp5.so | NA | 0.01 | NA | 0.01 | NA | 100 | NA | 0.00 | NA | 0.01 | NA | 0.01 |
| Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>) | libgromacs.so.8 | NA | 0.01 | NA | 0.01 | NA | 82 | NA | 5.88 | NA | 0.01 | NA | 0.01 |
| mkl_serv_verbose_mode | libmkl_core.so | NA | 0.01 | NA | 0.01 | NA | 128 | NA | 627.63 | NA | 0.01 | NA | 0.01 |
| gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef<float const>, float, bool, t_commrec const*, gmx::Lincs*) | libgromacs.so.8 | 0 | 0.01 | 0 | 0 | 3 | 1 | NA | NA | 0.07 | 0.00 | 0.06 | 0.00 |
| gmx_fft_1d_real(gmx_fft*, gmx_fft_direction, void*, void*) | libgromacs.so.8 | 0 | 0.01 | 0 | 0.01 | 26 | 128 | NA | 395.00 | 0.00 | 0.01 | 0.00 | 0.01 |
| compute_1d_small_fwd | libmkl_def.so | NA | 0.01 | NA | 0.01 | NA | 128 | NA | 623.76 | NA | 0.01 | NA | 0.01 |
| void _INTERNAL4f3a8b6c::gmx::__regcall3__transposeScatterDecrU<4>(float*, int const*, _INTERNAL4f3a8b6c::gmx::SimdFloat, _INTERNAL4f3a8b6c::gmx::SimdFloat, _INTERNAL4f3a8b6c::gmx::SimdFloat) | libgromacs.so.8 | 0.01 | NA | 0 | NA | 128 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
| gmx::Constraints::Impl::apply(bool, bool, long, int, float, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >, float const (*)... | libgromacs.so.8 | NA | 0.01 | NA | 0.01 | NA | 82 | NA | 1.38 | NA | 0.01 | NA | 0.01 |
| gmx::dd_partition_system(_IO_FILE*, gmx::MDLogger const&, long, t_commrec const*, bool, t_state*, gmx_mtop_t const&, t_inputrec const&, gmx::ImdSession*, pull_t*, t_state*, gmx::ForceBuffers*, gmx::MDAtoms*, gmx_localtop_t*, t_forcerec*, gmx::V... | libgromacs.so.8 | NA | 0.01 | NA | 0.01 | NA | 1 | NA | 0.00 | NA | 0.00 | NA | 0.00 |
| dd_make_local_constraints(gmx_domdec_t*, int, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::Constraints*, int, gmx::ArrayRef<InteractionList>) [clone .extracted] | libgromacs.so.8 | NA | 0.01 | NA | 0.01 | NA | 90 | NA | 0.00 | NA | 0.01 | NA | 0.00 |
| mkl_dft_def_ippsDFTInv_CToC_32fc | libmkl_def.so | NA | 0.01 | NA | 0.01 | NA | 128 | NA | 575.01 | NA | 0.01 | NA | 0.01 |
| calc_vir(int, float const (*) [3], float const (*) [3], float (*) [3], bool, float const (*) [3]) [clone .extracted] | libgromacs.so.8 | NA | 0.01 | NA | 0.01 | NA | 128 | NA | 404.75 | NA | 0.01 | NA | 0.00 |
| gmx_pme_do(gmx_pme_t*, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<flo... | libgromacs.so.8 | NA | 0.01 | NA | 0.01 | NA | 120 | NA | 46.63 | NA | 0.01 | NA | 0.00 |
| compute_1d_small_bwd | libmkl_def.so | NA | 0.01 | NA | 0.01 | NA | 128 | NA | 938.39 | NA | 0.01 | NA | 0.01 |
| mkl_dft_def_ippsDFTFwd_CToC_32fc | libmkl_def.so | NA | 0.01 | NA | 0.01 | NA | 128 | NA | 460.26 | NA | 0.01 | NA | 0.01 |
| gmx::constrain_lincs(bool, t_inputrec const&, long, gmx::Lincs*, gmx::ArrayRef<float const>, t_commrec const*, gmx_multisim_t const*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVecto... | libgromacs.so.8 | NA | 0.01 | NA | 0.01 | NA | 97 | NA | 1.13 | NA | 0.01 | NA | 0.00 |
| gmx::set_lincs_matrix(gmx::Lincs*, gmx::ArrayRef<float const>, float) [clone .extracted] | libgromacs.so.8 | NA | 0.01 | NA | 0.01 | NA | 110 | NA | 11.50 | NA | 0.01 | NA | 0.01 |
| nbnxn_atomdata_copy_x_to_nbat_x(Nbnxm::GridSet const&, gmx::AtomLocality, float const (*) [3], nbnxn_atomdata_t*) [clone .extracted] | libgromacs.so.8 | NA | 0.01 | NA | 0.01 | NA | 82 | NA | 0.00 | NA | 0.01 | NA | 0.01 |
| std::array<gmx::SimdFBool, 2ul>::array() | libgromacs.so.8 | 0.01 | NA | 0 | NA | 128 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
| void gmx::lennardJonesInteractionsSigmaEpsilon<2, true, false, true, 4ul, 4ul, 2ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool const*, std::array<gmx::SimdFloat, 2> const&a... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 1790.15 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#34}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.01 | NA | 0 | NA | 128 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#124}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 1058.39 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#95}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 2058.65 | NA | 0.01 | NA | 0.01 | NA |
| _INTERNAL256cd097::Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>) | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 74 | NA | 4.75 | NA | 0.01 | NA | 0.01 | NA |
| L__ZN17_INTERNALa39f500417setupForceOutputsEP18ForceHelperBuffersN3gmx19ArrayRefWithPaddingINS2_11BasicVectorIfEEEERKNS2_22DomainLifetimeWorkloadERKNS2_12StepWorkloadEbP13gmx_wallcycle_473__par_region4_2_178 | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 83 | NA | 0.00 | NA | 0.01 | NA | 0.01 | NA |
| _INTERNAL15b136ef::reduce_buffer_flags(gmx::ArrayRef<PairsearchWork>, int, gmx::ArrayRef<std::array<unsigned long, 2ul> >) | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 1 | NA | 0.00 | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#51}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 3806.55 | NA | 0.01 | NA | 0.01 | NA |
| r2cb_4 | libfftw3f.so.3.6.10 | 0.01 | NA | 0.01 | NA | 128 | NA | 749.88 | NA | 0.01 | NA | 0.01 | NA |
| void _INTERNALef3dff65::orderVector<gmx::BasicVector<float> >(gmx::ArrayRef<gmx_cgsort const>, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >) | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 1 | NA | 0.00 | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFBool, 4ul>::operator[](unsigned long) | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 1262.39 | NA | 0.01 | NA | 0.01 | NA |
| _INTERNAL256cd097::Nbnxm::sort_cluster_on_flag(int, int, int, gmx::ArrayRef<long const>, gmx::ArrayRef<int>, int*) | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 75 | NA | 0.00 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#120}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 1886.90 | NA | 0.01 | NA | 0.01 | NA |
| _INTERNAL6ff1e610::nbnxn_kernel_cpu(PairlistSet const&, Nbnxm::KernelSetup const&, nbnxn_atomdata_t*, interaction_const_t const&, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::StepWorkload const&, int, float*, float*, gmx_w... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 89.88 | NA | 0.01 | NA | 0.01 | NA |
| _INTERNAL95ebeaac::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&... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 83 | NA | 0.00 | NA | 0.01 | NA | 0.01 | NA |
| _Z8calc_viriPA3_KfS1_PA3_fbS1#omp_region_0 | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 437.38 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#187}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 114 | NA | 1459.77 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#5}>(nbnxm_kernel_ElecEw_Vdw... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 2490.53 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#113}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 2406.78 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#11}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 1322.02 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#70}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 1991.52 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#186}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 116 | NA | 1103.89 | NA | 0.01 | NA | 0.01 | NA |
| L__ZN3gmx11Constraints4Impl5applyEbblifNS_19ArrayRefWithPaddingINS_11BasicVectorIfEEEES5_NS_8ArrayRefIS4_EEPA3_KffPfS5_bPA3_fNS_18ConstraintVariableE_590__par_region0_2_189 | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 101 | NA | 6.25 | NA | 0.01 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#159}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 115 | NA | 1093.89 | NA | 0.01 | NA | 0.01 | NA |
| _INTERNAL4e3429d6::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>) | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 79 | NA | 0.25 | NA | 0.01 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#69}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.01 | NA | 0 | NA | 128 | NA | NA | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#131}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 115 | NA | 1262.14 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#161}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0.01 | NA | 0 | NA | 113 | NA | NA | NA | 0.01 | NA | 0.01 | NA |
| _INTERNALde8c538e::__regcall3__pbc_dx_aiuc(float const*, gmx::SimdFloat const*, gmx::SimdFloat const*, gmx::SimdFloat*) | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 218.38 | NA | 0.01 | NA | 0.01 | NA |
| apply_dit | libfftw3f.so.3.6.10 | 0.01 | NA | 0.01 | NA | 128 | NA | 648.01 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#97}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 1761.27 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#9}>(nbnxm_kernel_ElecEw_Vdw... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 2070.90 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#6}>(nbnxm_kernel_ElecEw_Vdw... | libgromacs.so.8 | 0.01 | NA | 0 | NA | 128 | NA | NA | NA | 0.01 | NA | 0.01 | NA |
| __libm_acosf_l9 | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 154.00 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#125}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 1073.01 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#90}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 2069.90 | NA | 0.01 | NA | 0.01 | NA |
| __kmp_enter_single | libiomp5.so | 0.01 | NA | 0.01 | NA | 127 | NA | 92.88 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#99}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.01 | NA | 0 | NA | 128 | NA | NA | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#36}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 2521.78 | NA | 0.01 | NA | 0.01 | NA |
| void gmx::lennardJonesInteractionsSigmaEpsilon<4, true, false, true, 4ul, 4ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool const*, std::array<gmx::SimdFloat, 4> const&a... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 1713.65 | NA | 0.01 | NA | 0.01 | NA |
| void _INTERNAL15b136ef::copySelectedListRange<true>(nbnxn_ci_t const*, NbnxnPairlistCpu const*, NbnxnPairlistCpu*, std::array<unsigned long, 2ul>*, int, int, int) | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 90 | NA | 0.00 | NA | 0.02 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#19}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 3072.29 | NA | 0.01 | NA | 0.01 | NA |
| __libm_sse2_sincosf | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 384.00 | NA | 0.01 | NA | 0.01 | NA |
| _INTERNAL3f4b4497::gmx::set_matrix_indices(_INTERNAL3f4b4497::gmx::Lincs*, (anonymous namespace)::Task const&, _INTERNAL3f4b4497::gmx::ListOfLists<int> const&, bool) | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 112 | NA | 0.00 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#167}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 115 | NA | 2115.90 | NA | 0.01 | NA | 0.01 | NA |
| _INTERNAL15b136ef::setBufferFlags(NbnxnPairlistCpu const&, int, int, std::array<unsigned long, 2ul>*, int) | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 634.51 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#40}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 1571.02 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#126}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 1854.02 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#119}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 2957.41 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#63}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 2387.90 | NA | 0.01 | NA | 0.01 | NA |
| _INTERNALa39f5004::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... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 127 | NA | 39.63 | NA | 0.01 | NA | 0.01 | NA |
| __memcpy_avx_unaligned_erms | libc-2.28.so | 0 | 0.01 | 0 | 0 | 2 | 3 | NA | NA | 0.00 | 0.49 | 0.00 | 0.31 |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#115}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 2924.66 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#79}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 3456.42 | NA | 0.02 | NA | 0.01 | NA |
| L__Z10gmx_pme_doP9gmx_pme_tN3gmx8ArrayRefIKNS1_11BasicVectorIfEEEENS2_IS4_EENS2_IKfEES9_S9_S9_S9_S9_PA3_S8_PK9t_commreciiP6t_nrnbP13gmx_wallcyclePA3_fSK_PfSL_ffSL_SL_RKNS1_12StepWorkloadE_1397__par_region1_2_114 | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 127 | NA | 323.63 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFBool, 4> genBoolArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#72}>(nbnxm_kernel_ElecE... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 3530.04 | NA | 0.01 | NA | 0.01 | NA |
| _INTERNAL08358dd6::calc_bonded_reduction_mask(int, gmx::ThreadForceBuffer<float [4]>*, InteractionDefinitions const&, int, bonded_threading_t const&) | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 95 | NA | 0.00 | NA | 0.01 | NA | 0.01 | NA |
| atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*) | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 113 | NA | 1.88 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#185}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 116 | NA | 1864.52 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#46}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 2304.78 | NA | 0.01 | NA | 0.01 | NA |
| L__Z12reduceForcesP16nbnxn_atomdata_tN3gmx12AtomLocalityERKN5Nbnxm7GridSetEPA3_f_1231__par_region0_2_66 | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 115 | NA | 3.63 | NA | 0.01 | NA | 0.01 | NA |
| L__ZN3gmx15constrain_lincsEbRK10t_inputreclPNS_5LincsENS_8ArrayRefIKfEEPK9t_commrecPK14gmx_multisim_tNS_19ArrayRefWithPaddingIKNS_11BasicVectorIfEEEENSE_ISG_EENS5_ISG_EEPA3_S6_P5t_pbcbfPffSK_bPA3_fNS_18ConstraintVariableEP6t_nrnbiPiP13gmx_wallcycle_2534__p... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 109 | NA | 2.50 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#127}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 1469.64 | NA | 0.01 | NA | 0.01 | NA |
| _INTERNAL3f4b4497::gmx::set_lincs_matrix_task(_INTERNAL3f4b4497::gmx::Lincs*, (anonymous namespace)::Task*, _INTERNAL3f4b4497::gmx::ArrayRef<float const>, int*, int*) | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 112 | NA | 10.13 | NA | 0.01 | NA | 0.01 | NA |
| void gmx::LennardJonesCalculator<true, (InteractionModifiers)1>::forceSigmaEpsilon<4, false, false, 4ul, 0ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool*, std::array&l... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 1866.65 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#10}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 3139.29 | NA | 0.01 | NA | 0.01 | NA |
| void _INTERNAL4f3a8b6c::gmx::__regcall3__transposeScatterIncrU<4>(float*, int const*, _INTERNAL4f3a8b6c::gmx::SimdFloat, _INTERNAL4f3a8b6c::gmx::SimdFloat, _INTERNAL4f3a8b6c::gmx::SimdFloat) | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 687.88 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#76}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 2679.66 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#35}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 3093.29 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#3}>(nbnxm_kernel_ElecEw_Vdw... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 2989.41 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#44}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 1910.52 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 2> genArr<2, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#60}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 3093.04 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#37}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 128 | NA | 3126.79 | NA | 0.01 | NA | 0.01 | NA |
| L__Z31nbnxn_atomdata_copy_x_to_nbat_xRKN5Nbnxm7GridSetEN3gmx12AtomLocalityEPA3_KfP16nbnxn_atomdata_t_964__par_region0_2_57 | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 104 | NA | 0.00 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#17}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.01 | NA | 0 | NA | 128 | NA | NA | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#160}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.01 | NA | 0.01 | NA | 116 | NA | 959.39 | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#14}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.01 | NA | 0 | NA | 128 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
| _INTERNAL95ebeaac::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> >*) | libgromacs.so.8 | 0.01 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| __intel_avx_memmove | gmx | 0.01 | NA | 0 | NA | 4 | NA | NA | NA | 0.34 | NA | 0.27 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#33}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.01 | NA | 0 | NA | 128 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#84}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0.01 | NA | 0 | NA | 128 | NA | NA | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#96}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0.01 | NA | 0 | NA | 128 | NA | NA | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#107}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0.01 | NA | 0 | NA | 128 | NA | NA | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, false, false, true, 4ul, 4ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool const*... | libgromacs.so.8 | 0 | NA | 0 | NA | 59 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t1bv_6 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::vector<nbnxn_ci_t, gmx::DefaultInitializationAllocator<nbnxn_ci_t, std::allocator<nbnxn_ci_t> > >::_M_default_append(unsigned long) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t1buv_8 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#129}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0 | NA | 0 | NA | 72 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| void gmx::LennardJonesCalculator<true, (InteractionModifiers)1>::forceSigmaEpsilon<4, false, false, 4ul, 4ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool*, std::array&l... | libgromacs.so.8 | 0 | NA | 0 | NA | 66 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t3bv_4 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t2bv_16 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t2bv_2 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t1bv_3 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t1bv_4 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t1bv_8 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t1bv_2 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t1bv_16 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| __mempcpy_avx_unaligned | libc-2.28.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| __strchrnul_avx2 | libc-2.28.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t3fv_16 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| n1fv_4 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| n2fv_4 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| n2bv_16 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| n1b_okp | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t1buv_6 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t1bv_12 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| __strlen_avx2 | libc-2.28.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t1fuv_8 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t1buv_2 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| q1bv_4 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| __GI__dl_addr | libc-2.28.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t1fv_6 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| q1bv_2 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t2bv_4 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| q1fv_4 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t1buv_3 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t3fv_4 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t1fv_16 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| r2cbIII_16 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| r2cbIII_8 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| hb2_4 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| hc2cb_2 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| hc2cb2_8 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| hc2cb_16 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| hc2cbdft_8 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| hc2cbdft_16 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| hb_8 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| hb_2 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| hc2cfdft_16 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| hc2cfdft_8 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| hb_4 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| hc2cfdft2_4 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| hc2cfdft2_16 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| hc2cfdft2_8 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| r2cb_8 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t2fv_16 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| hc2cbdft2_4 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| hc2cfdftv_16 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t1fv_2 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t1fuv_3 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t1fuv_2 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t1fv_3 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t1fv_8 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t1fv_4 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t1fv_12 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| n1f_okp | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| n2bv_8 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| n2fv_32 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| _INTERNALdc23a976::__kmp_alloc_argv_entries(int, kmp_team*, int) | libiomp5.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| unsigned long std::allocator_traits<gmx::Allocator<float, gmx::AlignedAllocationPolicy> >::_S_max_size<gmx::Allocator<float, gmx::AlignedAllocationPolicy> const>(gmx::Allocator<float, gmx::AlignedAllocationPolicy> const&, ... | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| n2bv_6 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| n1fv_64 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| n2fv_8 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| n1bv_64 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| n2fv_16 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| logf | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t3fv_8 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t2fv_4 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| _dl_fixup | ld-2.28.so | 0 | 0 | 0 | 0 | 2 | 2 | NA | NA | 0.00 | 0.01 | 0.00 | 0.00 |
| fftwf_elapsed_since@plt | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| fftwf_cpy1d | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| fftwf_kernel_malloc@plt | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t3bv_16 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t3bv_8 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| hc2cfdftv_8 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| hc2cbdftv_2 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| dotile_buf | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| hgrow | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| fftwf_tile2d | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| fftwf_ct_applicable | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| htab_lookup | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| __GI___qsort_r | libc-2.28.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| fftwf_choose_radix | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| hc2cfdft_4 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| htab_insert | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| apply_before | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| hc2cbdftv_8 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| __memcpy_avx_unaligned | libc-2.28.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| gmx::Update::deform() const | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| gmx::lincs_rmsd(gmx::Lincs const*) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| calc_pres(PbcType, int, float const (*) [3], float const (*) [3], float const (*) [3], float (*) [3]) | libgromacs.so.8 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| nrnbIndex(int) | libgromacs.so.8 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| ListedForces::haveRestraints(t_fcdata const&) const | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| ListedForces::calculate(gmx_wallcycle*, float const (*) [3], t_lambda const*, t_commrec const*, gmx_multisim_t const*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> const>, t_fcdata*,... | libgromacs.so.8 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| erfcf | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| hc2cbdftv_16 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| gmx::Constraints::Impl::apply(bool, bool, long, int, float, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >, float const (*)... | libgromacs.so.8 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| wallcycleBarrier(gmx_wallcycle*) | libgromacs.so.8 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| gmx::erfinv(double) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| wallcycle_start(gmx_wallcycle*, WallCycleCounter) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| gmx::do_constrain_first(_IO_FILE*, gmx::Constraints*, t_inputrec const*, int, int, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const (*) [3], float) | libgromacs.so.8 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| mk_mshift(_IO_FILE*, t_graph*, PbcType, float const (*) [3], float const (*) [3]) | libgromacs.so.8 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| do_pbc_mtop(PbcType, float const (*) [3], gmx_mtop_t const*, float (*) [3]) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| shift_self(t_graph const&, float const (*) [3], float (*) [3]) | libgromacs.so.8 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| __libm_logf_l9 | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| gmx::InMemorySerializer::doInt(int*) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| gmx::InMemoryDeserializer::doInt(int*) | libgromacs.so.8 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| __kmpc_end_ordered | libiomp5.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| fftwf_mapflags | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| fftwf_join_taint | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| r2cb_128 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| __kmp_setup_icv_copy(kmp_team*, int, kmp_internal_control*, ident*) | libiomp5.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| r2cb_64 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| r2cb_2 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| __malloc_arena_thread_freeres | libc-2.28.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| n2fv_6 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| __kmp_internal_join | libiomp5.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| t1fuv_6 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| __kmp_task_team_wait | libiomp5.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| __kmp_free_team | libiomp5.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| t1fuv_4 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| n1bv_2 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| __kmp_determine_reduction_method | libiomp5.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| n1_3 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| _mid_memalign | libc-2.28.so | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| r2cfII_8 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| _IO_padn | libc-2.28.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| apply_hc2r | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| dobatch_r2hc | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t2_8 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| read_int | libc-2.28.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| n1_32 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| gmx::InMemoryDeserializer::doRvec(float (*) [3]) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| __GI___libc_malloc | libc-2.28.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| hash | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| transpose | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| r2cf_128 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| r2cfII_2 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| fftwf_rdft_zerotens | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| r2cf_64 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| apply_memcpy_loop | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| apply_cpy2dco | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| hc2cfdft_2 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| mkl_dft_def_ownscDftFwd_PrimeFact_32fc@plt | libmkl_def.so | NA | 0 | NA | 0 | NA | 71 | NA | NA | NA | 0.00 | NA | 0.00 |
| hc2cf_8 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| mkl_dft_def_ippsDFTFwd_CToC_32fc@plt | libmkl_def.so | NA | 0 | NA | 0 | NA | 18 | NA | NA | NA | 0.00 | NA | 0.00 |
| __kmp_release_ticket_lock | libiomp5.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| make_local_bondeds_excls(gmx_domdec_t const&, gmx_domdec_zones_t const&, gmx_mtop_t const&, gmx::ArrayRef<long const>, bool, int const*, bool, float, t_pbc const*, gmx::ArrayRef<gmx::BasicVector<float> const>, InteractionDefin... | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| gmx::log2I(int) | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 |
| mkl_serv_trylock | libmkl_core.so | NA | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 |
| low_set_pbc(t_pbc*, PbcType, int const*, float const (*) [3]) | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| acosf | gmx | NA | 0 | NA | 0 | NA | 18 | NA | NA | NA | 0.00 | NA | 0.00 |
| mkl_dft_def_ownscDftInv_Fact3_32fc@plt | libmkl_def.so | NA | 0 | NA | 0 | NA | 15 | NA | NA | NA | 0.00 | NA | 0.00 |
| ddReopenBalanceRegionCpu(gmx_domdec_t const*) | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| _IO_fwrite | libc-2.28.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| gmx::Update::Impl::finish_update(t_inputrec const&, bool, int, gmx::ArrayRef<unsigned short const>, t_state*, gmx_wallcycle*, bool) | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| gmx::Update::xp() | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| Nbnxm::Grid::setCellIndices(int, int, Nbnxm::GridSetData*, gmx::ArrayRef<Nbnxm::GridWork>, gmx::Range<int>, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, int, nbnxn_atomdata_t*) [clone .extracted] | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 |
| do_stopcm_grp(t_mdatoms const&, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >, t_vcm const&) [clone .extracted] | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| cos | gmx | NA | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 |
| xdr_float(XDR*, float*) | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| void std::vector<char, std::allocator<char> >::_M_range_insert<char*>(__gnu_cxx::__normal_iterator<char*, std::vector<char, std::allocator<char> > >, char*, char*, std::forward_iterator_tag) | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| DispersionCorrection::calculate(float const (*) [3], float) const | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| reduce_energies_over_lists(nbnxn_atomdata_t const*, int, float*, float*) | libgromacs.so.8 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| mkl_dft_def_ippsDFTFwd_RToCCS_32f@plt | libmkl_def.so | NA | 0 | NA | 0 | NA | 6 | NA | NA | NA | 0.00 | NA | 0.00 |
| compute_globals(gmx_global_stat*, t_commrec*, t_inputrec const*, t_forcerec*, gmx_ekindata_t*, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> const>, float const (*) [3], t_mdatoms const*, t_nrnb... | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| __tls_get_addr_slow | ld-2.28.so | NA | 0 | NA | 0 | NA | 37 | NA | NA | NA | 0.00 | NA | 0.00 |
| mkl_serv_verbose_mode@plt | libmkl_core.so | NA | 0 | NA | 0 | NA | 87 | NA | NA | NA | 0.00 | NA | 0.00 |
| mkl_dft_def_ownscDftFwd_Fact3_32fc@plt | libmkl_def.so | NA | 0 | NA | 0 | NA | 109 | NA | NA | NA | 0.00 | NA | 0.00 |
| PairlistSet::dispatchPruneKernel(nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>) [clone .extracted] | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 80 | NA | NA | NA | 0.00 | NA | 0.00 |
| void doStopComMotionLinear<3>(t_mdatoms const&, gmx::ArrayRef<gmx::BasicVector<float> >, t_vcm const&) | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 38 | NA | NA | NA | 0.00 | NA | 0.00 |
| sincosf | gmx | NA | 0 | NA | 0 | NA | 54 | NA | NA | NA | 0.00 | NA | 0.00 |
| mkl_dft_def_ownscDftInv_Fact4_32fc@plt | libmkl_def.so | NA | 0 | NA | 0 | NA | 31 | NA | NA | NA | 0.00 | NA | 0.00 |
| make_local_bondeds_excls(gmx_domdec_t const&, gmx_domdec_zones_t const&, gmx_mtop_t const&, gmx::ArrayRef<long const>, bool, int const*, bool, float, t_pbc const*, gmx::ArrayRef<gmx::BasicVector<float> const>, InteractionDefin... | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 4 | NA | NA | NA | 0.00 | NA | 0.00 |
| mkl_dft_def_ownscDftInv_PrimeFact_32fc@plt | libmkl_def.so | NA | 0 | NA | 0 | NA | 68 | NA | NA | NA | 0.00 | NA | 0.00 |
| do_nb_verlet(t_forcerec*, interaction_const_t const*, gmx_enerdata_t*, gmx::StepWorkload const&, gmx::InteractionLocality, int, long, t_nrnb*, gmx_wallcycle*) | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| getVerletBufferAtomtypes(gmx_mtop_t const&, bool, bool) | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| dd_bonded_cg_distance(gmx::MDLogger const&, gmx_mtop_t const&, t_inputrec const&, gmx::ArrayRef<gmx::BasicVector<float> const>, float const (*) [3], gmx::DDBondedChecking, float*, float*) | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| float (anonymous namespace)::idihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*, gmx::ArrayRef<float const>, t_fcdata*, t_disresdata*, t_oriresdata*, in... | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 24 | NA | NA | NA | 0.00 | NA | 0.00 |
| Nbnxm::GridSet::putOnGrid(float const (*) [3], int, float const*, float const*, gmx::UpdateGroupsCog const*, gmx::Range<int>, float, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, int, int const*, nbnxn_ato... | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 4 | NA | NA | NA | 0.00 | NA | 0.00 |
| mkl_dft_def_ippsFFTInv_CCSToR_32f@plt | libmkl_def.so | NA | 0 | NA | 0 | NA | 37 | NA | NA | NA | 0.00 | NA | 0.00 |
| mkl_dft_def_transfer_ipp_mkl_error@plt | libmkl_def.so | NA | 0 | NA | 0 | NA | 120 | NA | NA | NA | 0.00 | NA | 0.00 |
| update_tcouple(long, t_inputrec const*, t_state*, gmx_ekindata_t*, t_extmass const*, int, gmx::ArrayRef<unsigned short const>) | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| __kmp_task_team_setup | libiomp5.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| mkl_dft_def_ownscDftInv_Prime8_32fc@plt | libmkl_def.so | NA | 0 | NA | 0 | NA | 16 | NA | NA | NA | 0.00 | NA | 0.00 |
| mkl_dft_def_ippsDFTInv_CToC_32fc@plt | libmkl_def.so | NA | 0 | NA | 0 | NA | 24 | NA | NA | NA | 0.00 | NA | 0.00 |
| mkl_dft_def_owns_cCcsRecombine_32f@plt | libmkl_def.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| gmx::constr_recur(gmx::ListOfLists<int> const&, std::array<InteractionList, 94ul> const&, gmx::ArrayRef<t_iparams const>, bool, int, int, int, gmx::ArrayRef<int>, float, float, float*, int*) | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| _dl_lookup_symbol_x | ld-2.28.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| gmx::makeLincsDeviations(gmx::Lincs const&, gmx::ArrayRef<gmx::BasicVector<float> const>, t_pbc const*) | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| exp | gmx | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| _dl_runtime_resolve_xsavec | ld-2.28.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| mkl_dft_def_ownscDftFwd_Prime8_32fc@plt | libmkl_def.so | NA | 0 | NA | 0 | NA | 11 | NA | NA | NA | 0.00 | NA | 0.00 |
| sysmalloc | libc-2.28.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| __libm_erf_ex | gmx | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| logf | gmx | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| mkl_dft_def_ippsDFTInv_CCSToR_32f@plt | libmkl_def.so | NA | 0 | NA | 0 | NA | 43 | NA | NA | NA | 0.00 | NA | 0.00 |
| __libm_exp_k32 | gmx | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| mkl_dft_def_owns_cRadix4FwdNorm_32fc@plt | libmkl_def.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| __libm_logf_l9 | gmx | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| __kmp_push_current_task_to_thread | libiomp5.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| mkl_dft_def_ownscDftFwd_Fact4_32fc@plt | libmkl_def.so | NA | 0 | NA | 0 | NA | 31 | NA | NA | NA | 0.00 | NA | 0.00 |
| __mpn_cmp | libc-2.28.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| __GI___clock_gettime | libc-2.28.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| __kmpc_reduce | libiomp5.so | NA | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.01 | NA | 0.00 |
| void std::vector<nbnxn_ci_t, gmx::DefaultInitializationAllocator<nbnxn_ci_t, std::allocator<nbnxn_ci_t> > >::_M_realloc_insert<nbnxn_ci_t const&>(__gnu_cxx::__normal_iterator<nbnxn_ci_t*, std::vector<nbnxn_ci_t, gmx::Defau... | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| computeAtomGroupDomainIndex(gmx_domdec_t const&, gmx_ddbox_t const&, float const (&) [3][3], gmx::ArrayRef<std::vector<float, std::allocator<float> > const>, int, int, float const (*) [3], float (*) [3]) | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| low_make_reverse_ilist(std::array<InteractionList, 94ul> const&, t_atom const*, int*, ReverseTopOptions const&, gmx::ArrayRef<int const>, gmx::ArrayRef<int>, AtomLinkRule, bool) | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| operator delete(void*) | libstdc++.so.6.0.30 | NA | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.01 | NA | 0.00 |
| mkl_dft_def_ippsFFTFwd_RToPerm_32f@plt | libmkl_def.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| gmx::InMemoryDeserializer::doReal(float*) | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| nonbonded_verlet_t::atomdata_add_nbat_f_to_f(gmx::AtomLocality, gmx::ArrayRef<gmx::BasicVector<float> >) | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| std::vector<float, gmx::Allocator<float, gmx::AlignedAllocationPolicy> >::resize(unsigned long) | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| __mpn_mul | libc-2.28.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| __mpn_divrem | libc-2.28.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| __kmpc_push_num_threads | libiomp5.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| _itoa_word | libc-2.28.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| std::vector<float, gmx::Allocator<float, gmx::HostAllocationPolicy> >::resize(unsigned long) | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| __GI___printf_fp | libc-2.28.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| hc2cf2_4 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| atan2f | gmx | NA | 0 | NA | 0 | NA | 94 | NA | NA | NA | 0.00 | NA | 0.00 |
| calcVerletBufferSize(gmx_mtop_t const&, float, t_inputrec const&, int, int, float, VerletbufListSetup const&) | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| t1_2 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| n1_64 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| n1_2 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t1_3 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t1_6 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t1_4 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t1_8 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t1_12 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| fftwf_dft_zerotens | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| fftwf_twiddle_awake | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| fftwf_pickdim | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| fftwf_kernel_free | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| apply_dif | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| fftwf_mkplan | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| fftwf_elapsed_since | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| fftwf_plan_destroy_internal | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| fftwf_cpy2d_co | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t1_16 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t2_4 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| hf_8 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| hf_4 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| hf_2 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| hf_16 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| r2cfII_16 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| hf2_16 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| hc2cf_2 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t1_32 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| fftwf_rdft2_solve | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| iterate | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t2_32 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t2_16 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| apply_after | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| q1_2 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| dobatch_hc2r | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| q1_4 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| gmx::makeAtomsToConstraintsList(int, gmx::ArrayRef<InteractionList const>, gmx::ArrayRef<t_iparams const>, gmx::FlexibleConstraintTreatment) | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| fftwf_cpy2d_pair_co | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| fftwf_ifree0 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| float (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*, t_oriresdata*, in... | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 120 | NA | NA | NA | 0.01 | NA | 0.00 |
| void do_dih_fup<(BondedKernelFlavor)0>(int, int, int, int, float, float*, float*, float*, float*, float*, float (*) [4], float (*) [3], t_pbc const*, float const (*) [3], int, int, int) | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 80 | NA | NA | NA | 0.01 | NA | 0.00 |
| __kmpc_for_static_init_8 | libiomp5.so | NA | 0 | NA | 0 | NA | 32 | NA | NA | NA | 0.00 | NA | 0.00 |
| __libm_erfcf_ex | gmx | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| (anonymous namespace)::calc_one_bond(int, int, InteractionDefinitions const&, gmx::ArrayRef<int const>, int, WorkDivision const&, float const (*) [3], float (*) [4], float (*) [3], t_forcerec const*, t_pbc const*, gmx_grppairener_t*, t_nrnb*,... | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 |
| gmx::ListOfLists<int>::pushBack(gmx::ArrayRef<int const>) | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 35 | NA | NA | NA | 0.00 | NA | 0.00 |
| gmx::lincs_update_atoms(gmx::Lincs*, int, float, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>, float (*) [3]) | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 81 | NA | NA | NA | 0.01 | NA | 0.00 |
| nbnxn_kernel_cpu(PairlistSet const&, Nbnxm::KernelSetup const&, nbnxn_atomdata_t*, interaction_const_t const&, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::StepWorkload const&, int, float*, float*, gmx_wallcycle*) [clone .... | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.01 | NA | 0.00 |
| __libm_exp_l9 | gmx | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| __libm_expf_l9 | gmx | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| update_get_addr | ld-2.28.so | NA | 0 | NA | 0 | NA | 120 | NA | NA | NA | 0.00 | NA | 0.00 |
| gmx::set_lincs_matrix(gmx::Lincs*, gmx::ArrayRef<float const>, float) | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type (anonymous namespace)::rbdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, flo... | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 64 | NA | NA | NA | 0.00 | NA | 0.00 |
| calc_vcm_grp(t_mdatoms const&, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> const>, t_vcm*) [clone .extracted] | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 106 | NA | NA | NA | 0.00 | NA | 0.00 |
| mkl_dft_def_owns_cRadix4InvNorm_32fc@plt | libmkl_def.so | NA | 0 | NA | 0 | NA | 38 | NA | NA | NA | 0.01 | NA | 0.01 |
| __libm_cos_l9 | gmx | NA | 0 | NA | 0 | NA | 17 | NA | NA | NA | 0.00 | NA | 0.00 |
| fftwf_cpy2d_pair_ci | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| energyDriftAtomPair(bool, bool, float, float, float, float, pot_derivatives_t const*) | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| std::vector<int, std::allocator<int> >::_M_default_append(unsigned long) | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 42 | NA | NA | NA | 0.01 | NA | 0.01 |
| gettimeofday@plt | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| fftwf_plan_destroy_internal@plt | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| fftwf_cpy2d_ci@plt | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| memcpy@plt | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| fftwf_malloc_plain | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| fftwf_cpy2d_pair_ci@plt | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| fftwf_ifree | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| mkl_dft_def_transfer_ipp_mkl_error | libmkl_def.so | NA | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.01 | NA | 0.00 |
| fftwf_cpy2d_co@plt | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| unknown_kernel_region | kernel | 0 | 0 | 0 | 0 | 128 | 128 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| make_dd_indices(gmx_domdec_t*, int) | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| nbnxn_atomdata_set(nbnxn_atomdata_t*, Nbnxm::GridSet const&, gmx::ArrayRef<int const>, gmx::ArrayRef<float const>, gmx::ArrayRef<long const>) | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| @plt_start@ | libiomp5.so | 0 | 0 | 0 | 0 | 7 | 15 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| gmx::lincs_thread_setup(gmx::Lincs*, int) [clone .extracted] | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 56 | NA | NA | NA | 0.00 | NA | 0.00 |
| int 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&, bool, int const*, bo... | libgromacs.so.8 | NA | 0 | NA | 0 | NA | 50 | NA | NA | NA | 0.01 | NA | 0.00 |
| _dl_update_slotinfo | ld-2.28.so | NA | 0 | NA | 0 | NA | 127 | NA | NA | NA | 0.01 | NA | 0.00 |
| nonbonded_verlet_t::convertCoordinates(gmx::AtomLocality, gmx::ArrayRef<gmx::BasicVector<float> const>) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, false, false, true, 4ul, 4ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool const*... | libgromacs.so.8 | 0 | NA | 0 | NA | 95 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| void std::vector<nbnxn_cj_t, gmx::DefaultInitializationAllocator<nbnxn_cj_t, std::allocator<nbnxn_cj_t> > >::_M_realloc_insert<nbnxn_cj_t const&>(__gnu_cxx::__normal_iterator<nbnxn_cj_t*, std::vector<nbnxn_cj_t, gmx::Defau... | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#96}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 125 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| void gmx::lennardJonesInteractionsSigmaEpsilon<4, false, false, true, 4ul, 4ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool const*, std::array<gmx::SimdFloat, 4> const&... | libgromacs.so.8 | 0 | NA | 0 | NA | 107 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#157}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 109 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| apply_dit_dft | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 48 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| clear_fshift(float*) | libgromacs.so.8 | 0 | 0 | 0 | 0 | 22 | 6 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#156}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 110 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| __kmp_task_team_sync | libiomp5.so | 0 | 0 | 0 | 0 | 24 | 25 | NA | NA | 0.00 | 0.01 | 0.00 | 0.01 |
| _INTERNALef3dff65::clearDDStateIndices(gmx_domdec_t*, bool) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| int _INTERNALed97dceb::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... | libgromacs.so.8 | 0 | NA | 0 | NA | 26 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#68}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 126 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#10}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#70}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 123 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#5}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#180}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0 | NA | 0 | NA | 107 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#186}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0 | NA | 0 | NA | 107 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#95}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 119 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#35}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 127 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| nral_rt(int) | libgromacs.so.8 | 0 | 0 | 0 | 0 | 21 | 16 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#149}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 113 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#130}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 113 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#154}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 112 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| fftwf_cpy2d | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.09 | NA | 0.07 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#33}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 127 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, true, false, true, 4ul, 4ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool const*,... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| gmx::DiagonalMasker<4, (KernelLayout)0, (gmx::DiagonalMaskType)1>::DiagonalMasker(nbnxn_atomdata_t::SimdMasks const&) | libgromacs.so.8 | 0 | NA | 0 | NA | 28 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| void gmx::LennardJonesCalculator<false, (InteractionModifiers)1>::forceSigmaEpsilon<4, true, false, 4ul, 4ul, 0ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool*, std::array&l... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFBool, 4> genBoolArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#162}>(nbnxm_kernel_Ele... | libgromacs.so.8 | 0 | NA | 0 | NA | 109 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#89}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, true, false, true, 4ul, 4ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool const*,... | libgromacs.so.8 | 0 | NA | 0 | NA | 127 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#3}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#187}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0 | NA | 0 | NA | 109 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, true, false, true, 4ul, 4ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool const*,... | libgromacs.so.8 | 0 | NA | 0 | NA | 127 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#2}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| gmx::ThreadedForceBuffer<float [4]>::reduce(gmx::ForceWithShiftForces*, float*, gmx_grppairener_t*, gmx::ArrayRef<float>, gmx::StepWorkload const&, int) | libgromacs.so.8 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| _INTERNAL15b136ef::icell_set_x(int, float, float, float, int, float const*, ClusterDistanceKernelType, NbnxnPairlistCpuWork*) | libgromacs.so.8 | 0 | NA | 0 | NA | 119 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| gmx::lennardJonesInteractionsSigmaEpsilon<2, true, false, true, 4ul, 4ul, 2ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool const*, std::array<gmx::SimdFloat, 2> const&, ... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#37}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFBool, 4> genBoolArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#72}>(nbnxm_kernel_Elec... | libgromacs.so.8 | 0 | NA | 0 | NA | 126 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#97}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 121 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 2> genArr<2, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#30}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| gmx::SimdFBool::SimdFBool(bool) | libgromacs.so.8 | 0 | NA | 0 | NA | 27 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| L__ZN17_INTERNAL15b136ef20rebalanceSimpleListsEN3gmx8ArrayRefIK16NbnxnPairlistCpuEENS1_IS2_EENS1_I14PairsearchWorkEE_3782__par_region0_2_224 | libgromacs.so.8 | 0 | NA | 0 | NA | 28 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| __kmp_run_after_invoked_task | libiomp5.so | 0 | 0 | 0 | 0 | 51 | 97 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| _INTERNAL3f4b4497::gmx::assign_constraint(_INTERNAL3f4b4497::gmx::Lincs*, int, int, int, float, float, _INTERNAL3f4b4497::gmx::ListOfLists<int> const&) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFBool, 4> genBoolArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#133}>(nbnxm_kernel_Elec... | libgromacs.so.8 | 0 | NA | 0 | NA | 112 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#137}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 113 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#8}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#167}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0 | NA | 0 | NA | 108 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| __kmp_get_global_thread_id_reg | libiomp5.so | 0 | 0 | 0 | 0 | 128 | 120 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#183}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0 | NA | 0 | NA | 103 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| fftwf_execute_dft_c2r | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 15 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| void _INTERNALef3dff65::orderVector<int>(gmx::ArrayRef<gmx_cgsort const>, gmx::ArrayRef<int>, gmx::ArrayRef<int>) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| __libm_cos_l9 | libgromacs.so.8 | 0 | NA | 0 | NA | 15 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| _INTERNALe5e96b6b::nbnxn_atomdata_set_charges(nbnxn_atomdata_t*, Nbnxm::GridSet const&, gmx::ArrayRef<float const>) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| gmx::SettleData::setConstraints(InteractionList const&, int, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>) | libgromacs.so.8 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| void _INTERNALef3dff65::orderVector<long>(gmx::ArrayRef<gmx_cgsort const>, gmx::ArrayRef<long>, gmx::ArrayRef<long>) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#153}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 109 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| __GI___printf_fp_l | libc-2.28.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#134}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 111 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| gmx_parallel_3dfft_real_limits(gmx_parallel_3dfft*, int*, int*, int*) | libgromacs.so.8 | 0 | 0 | 0 | 0 | 121 | 125 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#6}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0 | NA | 0 | NA | 127 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFBool, 4ul>::operator[](unsigned long) const | libgromacs.so.8 | 0 | NA | 0 | NA | 126 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| _INTERNAL4e3429d6::copyMovedAtomsToBufferPerAtom(gmx::ArrayRef<int const>, int, int, float (*) [3], gmx_domdec_comm_t*) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#159}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0 | NA | 0 | NA | 105 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| __kmp_fork_call | libiomp5.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#14}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 127 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#90}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 124 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#93}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 113 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#129}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 110 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| gmx_reverse_top_t::molblockIndices() const | libgromacs.so.8 | 0 | 0 | 0 | 0 | 13 | 6 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#76}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 127 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| void _INTERNAL7ad953f0::doStopComMotionLinear<3>(t_mdatoms const&, gmx::ArrayRef<gmx::BasicVector<float> >, t_vcm const&) | libgromacs.so.8 | 0 | NA | 0 | NA | 38 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| __kmp_resume_if_soft_paused | libiomp5.so | 0 | 0 | 0 | 0 | 114 | 70 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| _INTERNAL3f4b4497::gmx::set_lincs_matrix(_INTERNAL3f4b4497::gmx::Lincs*, _INTERNAL3f4b4497::gmx::ArrayRef<float const>, float) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| calc_vcm_grp(t_mdatoms const&, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> const>, t_vcm*) | libgromacs.so.8 | 0 | NA | 0 | NA | 79 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| getThreadAtomRange(int, int, int, int*, int*) | libgromacs.so.8 | 0 | NA | 0 | NA | 21 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#69}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 121 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| __tls_get_addr | ld-2.28.so | 0 | 0 | 0 | 0 | 128 | 126 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| SplineCoefficients::realloc(int) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| __kmpc_for_static_init_8u | libiomp5.so | 0 | NA | 0 | NA | 21 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| __libm_exp_l9 | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| __libm_expf_l9 | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| gmx::make_at2con(int, gmx::ArrayRef<InteractionList const>, gmx::ArrayRef<t_iparams const>, gmx::FlexibleConstraintTreatment) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#85}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 124 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#25}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| atan2f | libgromacs.so.8 | 0 | NA | 0 | NA | 103 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| make_dp_periodic(float*) | libgromacs.so.8 | 0 | NA | 0 | NA | 77 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#94}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 120 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#9}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 2> genArr<2, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#29}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| dd_redistribute_cg(_IO_FILE*, long, gmx_domdec_t*, int*, t_state*, t_forcerec*, t_nrnb*, int*) | libgromacs.so.8 | 0 | 0 | 0 | 0 | 8 | 1 | NA | NA | 0.03 | 0.00 | 0.02 | 0.00 |
| gmx_parallel_3dfft_complex_limits(gmx_parallel_3dfft*, int*, int*, int*, int*) | libgromacs.so.8 | 0 | 0 | 0 | 0 | 126 | 117 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#7}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0 | NA | 0 | NA | 127 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#150}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 109 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| void gmx::LennardJonesCalculator<true, (InteractionModifiers)1>::forceSigmaEpsilon<2, true, false, 4ul, 4ul, 2ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool*, std::array<... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#155}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 112 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#18}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#104}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#165}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0 | NA | 0 | NA | 114 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#183}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 111 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
| void _INTERNAL15b136ef::copySelectedListRange<false>(nbnxn_ci_t const*, NbnxnPairlistCpu const*, NbnxnPairlistCpu*, std::array<unsigned long, 2ul>*, int, int, int) | libgromacs.so.8 | 0 | NA | 0 | NA | 42 | NA | NA | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#123}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#184}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 113 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#100}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
| r2cf_4 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 92 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#94}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#77}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#180}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 115 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
| r2cbIII_4 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| _INTERNALed97dceb::atomInMolblockFromGlobalAtomnr(gmx::ArrayRef<MolblockIndices const>, int) | libgromacs.so.8 | 0 | NA | 0 | NA | 54 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#93}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
| _INTERNALef3dff65::make_dd_indices(gmx_domdec_t*, int) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#1}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
| gmx::ThreadForceBuffer<float [4]>::processMask() | libgromacs.so.8 | 0 | 0 | 0 | 0 | 55 | 28 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#179}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 112 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
| r2cfII_4 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 74 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
| _INTERNALf70df448::mtopGetMolblockIndex(gmx_mtop_t const&, int, int*, int*, int*) | libgromacs.so.8 | 0 | NA | 0 | NA | 51 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, false, false, true, 4ul, 0ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool const*... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
| void _INTERNAL15b136ef::get_cell_range<0>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*) | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#135}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 112 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
| void gmx::lennardJonesInteractionsSigmaEpsilon<4, false, false, false, 4ul, 4ul, 0ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool const*, std::array<gmx::SimdFloat, 4> const... | libgromacs.so.8 | 0 | NA | 0 | NA | 111 | NA | NA | NA | 0.01 | NA | 0.01 | NA |
| t2bv_8 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| n1bv_32 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| n2fv_12 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| hc2cbdftv_4 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| apply_r2hc | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| apply | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| hc2cfdftv_4 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| n1fv_32 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| n2bv_12 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| void _INTERNAL15b136ef::get_cell_range<1>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*) | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
| t2fv_8 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#7}>(nbnxm_kernel_ElecEw_Vdw... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
| _INTERNAL9676b919::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) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#71}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#24}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
| apply_extra_iter | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#15}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#164}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 114 | NA | NA | NA | 0.01 | NA | 0.01 | NA |
| std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNAL4f3a8b6c::(anonymous namespace)::rbdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc co... | libgromacs.so.8 | 0 | NA | 0 | NA | 110 | NA | NA | NA | 0.01 | NA | 0.01 | NA |
| __kmpc_single | libiomp5.so | 0 | NA | 0 | NA | 102 | NA | NA | NA | 0.01 | NA | 0.01 | NA |
| _INTERNAL08358dd6::divide_bondeds_over_threads(bonded_threading_t*, bool, InteractionDefinitions const&) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, true, false, true, 4ul, 4ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool const*,... | libgromacs.so.8 | 0 | NA | 0 | NA | 127 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| _INTERNAL3f4b4497::gmx::lincs_thread_setup(_INTERNAL3f4b4497::gmx::Lincs*, int) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#79}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, true, false, true, 4ul, 4ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool const*,... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#19}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#89}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#82}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 127 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, true, false, true, 4ul, 4ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool const*,... | libgromacs.so.8 | 0 | NA | 0 | NA | 125 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#34}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| fftwf_execute_dft_r2c | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 38 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| nbnxn_atomdata_t::resizeForceBuffers() | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| _INTERNAL3f4b4497::gmx::lincs_update_atoms(_INTERNAL3f4b4497::gmx::Lincs*, int, float, _INTERNAL3f4b4497::gmx::ArrayRef<float const>, _INTERNAL3f4b4497::gmx::ArrayRef<_INTERNAL3f4b4497::gmx::BasicVector<float> const>, _INTERNAL3f4b4497::g... | libgromacs.so.8 | 0 | NA | 0 | NA | 80 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#138}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 112 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| apply_dif_dft | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFBool, 4> genBoolArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#132}>(nbnxm_kernel_Elec... | libgromacs.so.8 | 0 | NA | 0 | NA | 114 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 2> genArr<2, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#30}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| cos | libgromacs.so.8 | 0 | NA | 0 | NA | 33 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, true, false, true, 4ul, 4ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool const*,... | libgromacs.so.8 | 0 | NA | 0 | NA | 127 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFBool, 4> genBoolArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#12}>(nbnxm_kernel_Elec... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#78}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 127 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| __kmp_fork_barrier(int, int) | libiomp5.so | 0 | 0 | 0 | 0 | 107 | 113 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| __libm_erfcf_ex | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| 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... | libgromacs.so.8 | 0 | 0 | 0 | 0 | 39 | 25 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| std::array<gmx::SimdFloat, 2> genArr<2, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#29}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNAL4f3a8b6c::(anonymous namespace)::rbdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3]... | libgromacs.so.8 | 0 | NA | 0 | NA | 72 | NA | NA | NA | 0.01 | NA | 0.01 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#128}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 111 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#168}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0 | NA | 0 | NA | 110 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#111}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#16}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| _INTERNALe5e96b6b::nbnxn_atomdata_set_ljcombparams(nbnxn_atomdata_t::Params*, int, Nbnxm::GridSet const&) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| globalAtomIndexToMoltypeIndices(gmx::ArrayRef<MolblockIndices const>, int) | libgromacs.so.8 | 0 | 0 | 0 | 0 | 47 | 33 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| _INTERNAL15b136ef::makeClusterListWrapper(NbnxnPairlistCpu*, Nbnxm::Grid const&, int, Nbnxm::Grid const&, int, int, bool, nbnxn_atomdata_t const*, float, float, ClusterDistanceKernelType, int*) | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#4}>(nbnxm_kernel_ElecEw_Vd... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#152}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 113 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#22}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| _INTERNAL87cdf56b::(anonymous namespace)::calc_one_bond(int, int, InteractionDefinitions const&, gmx::ArrayRef<int const>, int, WorkDivision const&, float const (*) [3], float (*) [4], float (*) [3], t_forcerec const*, t_pbc const*, gmx_grppa... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#32}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#182}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0 | NA | 0 | NA | 109 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| void std::vector<int, std::allocator<int> >::_M_range_insert<gmx::ArrayRefIter<int const> >(__gnu_cxx::__normal_iterator<int*, std::vector<int, std::allocator<int> > >, gmx::ArrayRefIter<int const>, gmx::Arra... | libgromacs.so.8 | 0 | NA | 0 | NA | 46 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#36}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFBool, 4ul>::array() | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#158}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0 | NA | 0 | NA | 110 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#184}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0 | NA | 0 | NA | 109 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| float _INTERNAL4f3a8b6c::(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*... | libgromacs.so.8 | 0 | NA | 0 | NA | 123 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#179}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0 | NA | 0 | NA | 110 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#92}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#75}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
| fftwf_execute_dft | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 128 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| gmx::ArrayRef<float const>::ArrayRef<std::vector<float, gmx::Allocator<float, gmx::HostAllocationPolicy> > const&, void>(std::vector<float, gmx::Allocator<float, gmx::HostAllocationPolicy> > const&) | libgromacs.so.8 | 0 | NA | 0 | NA | 29 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| void gmx::LennardJonesCalculator<false, (InteractionModifiers)1>::forceSigmaEpsilon<4, false, false, 4ul, 4ul, 0ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool*, std::array&... | libgromacs.so.8 | 0 | NA | 0 | NA | 110 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#131}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0 | NA | 0 | NA | 103 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| dd_clear_local_constraint_indices(gmx_domdec_t*) | libgromacs.so.8 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| void std::vector<int, std::allocator<int> >::_M_range_insert<__gnu_cxx::__normal_iterator<int const*, std::vector<int, std::allocator<int> > > >(__gnu_cxx::__normal_iterator<int*, std::vector<int, std::allocator<... | libgromacs.so.8 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| _INTERNALb7d6237a::getWholeMoleculeCoordinates(gmx_moltype_t const*, gmx_ffparams_t const*, PbcType, t_graph*, float const (*) [3], gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> >) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| _INTERNALb7d6237a::bonded_cg_distance_mol(gmx_moltype_t const*, gmx::DDBondedChecking, bool, gmx::ArrayRef<gmx::BasicVector<float> const>, bonded_distance_t*, bonded_distance_t*) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| gmx::ArrayRef<Nbnxm::BoundingBox const>::ArrayRef<std::vector<Nbnxm::BoundingBox, gmx::Allocator<Nbnxm::BoundingBox, gmx::AlignedAllocationPolicy> > const&, void>(std::vector<Nbnxm::BoundingBox, gmx::Allocator<Nbnxm::Bound... | libgromacs.so.8 | 0 | NA | 0 | NA | 66 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| getGroupType(SimulationGroups const&, SimulationAtomGroupType, int) | libgromacs.so.8 | 0 | 0 | 0 | 0 | 2 | 2 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>::swap(gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>&) | libgromacs.so.8 | 0 | NA | 0 | NA | 3 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| gmx::constrain_coordinates(gmx::Constraints*, bool, bool, long, t_state*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float*, bool, float (*) [3]) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| void _INTERNALde8c538e::gmx::settleTemplate<_INTERNALde8c538e::gmx::SimdFloat, _INTERNALde8c538e::gmx::SimdFBool, 8, float const*, false, false>(_INTERNALde8c538e::gmx::SettleData const&, int, int, float const*, float const*, float*, float, float... | libgromacs.so.8 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| L__ZN17_INTERNAL3f4b44973gmx16set_lincs_matrixEPNS0_5LincsENS0_8ArrayRefIKfEEf_1397__par_region0_2_81 | libgromacs.so.8 | 0 | NA | 0 | NA | 3 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| _INTERNALa39f5004::setupForceOutputs(ForceHelperBuffers*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::DomainLifetimeWorkload const&, gmx::StepWorkload const&, bool, gmx_wallcycle*) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::vector<nbnxn_cj_t, gmx::DefaultInitializationAllocator<nbnxn_cj_t, std::allocator<nbnxn_cj_t> > >::_M_default_append(unsigned long) | libgromacs.so.8 | 0 | 0 | 0 | 0 | 2 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#155}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0 | NA | 0 | NA | 83 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| __kmp_allocate_team | libiomp5.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| n1bv_4 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| n1fv_16 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#137}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0 | NA | 0 | NA | 87 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| n1bv_3 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t2fv_2 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| n1bv_6 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| t1buv_4 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| q1fv_2 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| n1fv_8 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| gmx_fft_many_1d_real(gmx_fft*, gmx_fft_direction, void*, void*) | libgromacs.so.8 | 0 | 0 | 0 | 0 | 2 | 128 | NA | NA | 0.00 | 0.01 | 0.00 | 0.00 |
| n1_6 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| _INTERNAL9676b919::getVerletBufferAtomtypes(gmx_mtop_t const&, bool, bool) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| _INTERNALfd2159da::mk_grey(gmx::ArrayRef<egCol>, t_graph*, int*, int, float const (*) [3], float const (*) [3], int*) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| gmx_reverse_top_t::interactionListForMoleculeType(int) const | libgromacs.so.8 | 0 | NA | 0 | NA | 3 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| _INTERNAL15b136ef::clear_pairlist(NbnxnPairlistCpu*) | libgromacs.so.8 | 0 | NA | 0 | NA | 3 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| calc_vir(int, float const (*) [3], float const (*) [3], float (*) [3], bool, float const (*) [3]) | libgromacs.so.8 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| gmx::SettleData::ow1() const | libgromacs.so.8 | 0 | NA | 0 | NA | 51 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| _INTERNAL3f4b4497::bitmask_is_disjoint(std::array<unsigned long, 2ul>, std::array<unsigned long, 2ul>) | libgromacs.so.8 | 0 | NA | 0 | NA | 3 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| fftwf_dft_solve | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.01 | NA | 0.01 | NA |
| PmeAtomComm::setNumAtoms(int) | libgromacs.so.8 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| apply_buf | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, false, false, true, 4ul, 4ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool const*... | libgromacs.so.8 | 0 | NA | 0 | NA | 96 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| n1fv_3 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| fftwf_rdft_solve | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| apply_iter | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.01 | NA | 0.01 | NA |
| gmx::InMemoryDeserializer::doFloat(float*) | libgromacs.so.8 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#134}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0 | NA | 0 | NA | 74 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| r2cf_8 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| r2cb_16 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| malloc_consolidate | libc-2.28.so | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.01 | NA | 0.01 | NA |
| n1fv_6 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| bool __gnu_cxx::operator!=<nbnxn_ci_t const*, std::vector<nbnxn_ci_t, gmx::DefaultInitializationAllocator<nbnxn_ci_t, std::allocator<nbnxn_ci_t> > > >(__gnu_cxx::__normal_iterator<nbnxn_ci_t const*, std::vector<nbnxn_ci_t, gmx... | libgromacs.so.8 | 0 | NA | 0 | NA | 108 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| n1_16 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.02 | NA | 0.01 | NA |
| __GI___libc_memalign | libc-2.28.so | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| r2cf_32 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| reset_enerdata(gmx_enerdata_t*) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| add_ebin_indexed(t_ebin*, int, gmx::ArrayRef<bool>, gmx::ArrayRef<float const>, bool) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| _INTERNAL35307260::gmx::constr_recur(_INTERNAL35307260::gmx::ListOfLists<int> const&, std::array<InteractionList, 94ul> const&, _INTERNAL35307260::gmx::ArrayRef<t_iparams const>, bool, int, int, int, _INTERNAL35307260::gmx::ArrayR... | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| computeEffectiveAtomDensity(gmx::ArrayRef<gmx::BasicVector<float> const>, float const (*) [3], float, tmpi_comm_*) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| CpuPpLongRangeNonbondeds::calculate(gmx_pme_t*, t_commrec const*, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ForceWithVirial*, gmx_enerdata_t*, float const (*) [3], gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<... | libgromacs.so.8 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| gmx::constrain_lincs(bool, t_inputrec const&, long, gmx::Lincs*, gmx::ArrayRef<float const>, t_commrec const*, gmx_multisim_t const*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVecto... | libgromacs.so.8 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| forcerec_set_ranges(t_forcerec*, int, int, int) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| gmx::SettleData::virfac() const | libgromacs.so.8 | 0 | NA | 0 | NA | 24 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| gmx::makeMDAtoms(_IO_FILE*, gmx_mtop_t const&, t_inputrec const&, bool) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| gmx_get_stop_condition() | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| EwaldBoxZScaler::scaleBox(float const (*) [3], float (*) [3]) const | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| _INTERNAL98ac8d8a::low_set_pbc(t_pbc*, PbcType, int const*, float const (*) [3]) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| wallcycle_stop(gmx_wallcycle*, WallCycleCounter) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| _INTERNALef3dff65::dd_sort_state(gmx_domdec_t*, t_forcerec*, t_state*) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| _INTERNAL0ef93462::computeAtomGroupDomainIndex(gmx_domdec_t const&, gmx_ddbox_t const&, float const (&) [3][3], gmx::ArrayRef<std::vector<float, std::allocator<float> > const>, int, int, float const (*) [3], float (*) [3]) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| gmx_gettime() | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| dd_check_ftype(int, ReverseTopOptions const&) | libgromacs.so.8 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| gmx::log2I(unsigned int) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| _ZN17_INTERNAL814ee58522low_make_reverse_ilistERKSt5arrayI15InteractionListLm94EEPK6t_atomPiRK17ReverseTopOptionsN3gmx8ArrayRefIKiEENSD_IiEE12AtomLinkRuleb..0 | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| shift_x(t_graph const*, float const (*) [3], float const (*) [3], float (*) [3]) | libgromacs.so.8 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| integratorHasConservedEnergyQuantity(t_inputrec const*) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| _int_memalign | libc-2.28.so | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| sum_ekin(t_grpopts const*, gmx_ekindata_t*, float*, bool, bool) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| ListedForces::haveCpuBondeds() const | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| destroy | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| mkplan | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| fftwf_transpose | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.01 | NA | 0.01 | NA |
| msort_with_tmp.part.0 | libc-2.28.so | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| __mpn_lshift | libc-2.28.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| n1_4 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| __mpn_mul_1 | libc-2.28.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| r2cf_16 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| n1_12 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| gmx::Update::Impl::update_sd_second_half(t_inputrec const&, long, float*, int, gmx::ArrayRef<ParticleType const>, gmx::ArrayRef<float const>, t_state*, t_commrec const*, t_nrnb*, gmx_wallcycle*, gmx::Constraints*, bool, bool) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| fftwf_plan_awake | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| do_lookup_x | ld-2.28.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| get_pme_ener_vir_q(pme_solve_work_t*, int, PmeOutput*) | libgromacs.so.8 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| _INTERNAL87cdf56b::(anonymous namespace)::calc_listed(gmx_wallcycle*, InteractionDefinitions const&, bonded_threading_t*, float const (*) [3], gmx::ForceOutputs*, t_forcerec const*, t_pbc const*, gmx_enerdata_t*, t_nrnb*, gmx::ArrayRef<float const&g... | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| fftwf_md5putb | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| gmx::LegacySimulator::do_md() | libgromacs.so.8 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| xdr_vector(XDR*, char*, unsigned int, unsigned int, int (*)(XDR*, void*, ...)) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::tuple_element<0ul, std::tuple<gmx::EssentialDynamics*, std::default_delete<gmx::EssentialDynamics> > >::type const& std::get<0ul, gmx::EssentialDynamics*, std::default_delete<gmx::EssentialDynamics> >(std::tuple<gm... | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| acosf | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| _INTERNAL969730b6::xdrstdio_putint32(XDR*, int*) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| fftwf_cpy2d_pair | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.01 | NA | 0.01 | NA |
| r2cb_32 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| n1bv_8 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#138}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0 | NA | 0 | NA | 101 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#152}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0 | NA | 0 | NA | 101 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#74}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 117 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#21}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 121 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#128}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0 | NA | 0 | NA | 98 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| nbnxn_atomdata_add_nbat_fshift_to_fshift(nbnxn_atomdata_t const&, gmx::ArrayRef<gmx::BasicVector<float> >) | libgromacs.so.8 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#185}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0 | NA | 0 | NA | 100 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| dd_make_local_constraints(gmx_domdec_t*, int, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::Constraints*, int, gmx::ArrayRef<InteractionList>) | libgromacs.so.8 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| L__ZN11PairlistSet18constructPairlistsEN3gmx19InteractionLocalityERKN5Nbnxm7GridSetENS0_8ArrayRefI14PairsearchWorkEEP16nbnxn_atomdata_tRKNS0_11ListOfListsIiEEiP6t_nrnbP19SearchCycleCounting_4193__par_region2_2_115 | libgromacs.so.8 | 0 | NA | 0 | NA | 14 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| _INTERNAL96cc8366::calc_ke_part_normal(gmx::ArrayRef<gmx::BasicVector<float> const>, t_grpopts const*, t_mdatoms const*, gmx_ekindata_t*, t_nrnb*, bool) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| __kmp_join_call | libiomp5.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| hack_digit | libc-2.28.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| _INTERNAL12a6d422::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... | libgromacs.so.8 | 0 | NA | 0 | NA | 14 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| InteractionDefinitions::clear() | libgromacs.so.8 | 0 | 0 | 0 | 0 | 7 | 5 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#135}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0 | NA | 0 | NA | 103 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| __kmpc_fork_call | libiomp5.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| _IO_vfprintf | libc-2.28.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| Nbnxm::GridSet::setLocalAtomOrder() | libgromacs.so.8 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| __kmp_internal_fork | libiomp5.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| __libm_exp_k32 | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| _INTERNALef3dff65::dd_sort_order_nbnxn(t_forcerec const*, std::vector<gmx_cgsort, std::allocator<gmx_cgsort> >*) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| fftwf_measure_execution_time | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.01 | NA | 0.01 | NA |
| gmx_ga2la_t::clear(bool) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| void gmx::LennardJonesCalculator<true, (InteractionModifiers)1>::forceSigmaEpsilon<4, true, false, 4ul, 4ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool*, std::array<... | libgromacs.so.8 | 0 | NA | 0 | NA | 117 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| _INTERNAL15b136ef::next_ci(Nbnxm::Grid const&, int, int, int*, int*, int*, int*) | libgromacs.so.8 | 0 | NA | 0 | NA | 71 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| _INTERNAL15b136ef::set_icell_bb_simple(gmx::ArrayRef<Nbnxm::BoundingBox const>, int, float, float, float, Nbnxm::BoundingBox*) | libgromacs.so.8 | 0 | NA | 0 | NA | 96 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#160}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0 | NA | 0 | NA | 105 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#154}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0 | NA | 0 | NA | 81 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| PairlistSet::dispatchPruneKernel(nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>) | libgromacs.so.8 | 0 | NA | 0 | NA | 42 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| _intel_fast_memset | gmx | 0 | 0 | 0 | 0 | 18 | 7 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| float _INTERNAL4f3a8b6c::(anonymous namespace)::idihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*, gmx::ArrayRef<float const>, t_fcdata*, t_disresdata*... | libgromacs.so.8 | 0 | NA | 0 | NA | 52 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| gmx_omp_get_thread_num() | libgromacs.so.8 | 0 | 0 | 0 | 0 | 10 | 14 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| fftwf_md5putc | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 9 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#17}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 126 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, true, false, true, 4ul, 4ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool const*,... | libgromacs.so.8 | 0 | NA | 0 | NA | 105 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#77}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 121 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| gmx::SettleData::hw3() const | libgromacs.so.8 | 0 | NA | 0 | NA | 31 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#149}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0 | NA | 0 | NA | 99 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, false, false, true, 4ul, 4ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool const*... | libgromacs.so.8 | 0 | NA | 0 | NA | 100 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#81}>(nbnxm_kernel_ElecEw_V... | libgromacs.so.8 | 0 | NA | 0 | NA | 103 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| calculateSimpleBond(int, 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*, t_oriresdata*, int*, BondedKernelFlavor) | libgromacs.so.8 | 0 | 0 | 0 | 0 | 103 | 126 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| _INTERNAL4e3429d6::copyMovedUpdateGroupCogs(gmx::ArrayRef<int const>, int, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx_domdec_comm_t*) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| gmx_parallel_3dfft_execute(gmx_parallel_3dfft*, gmx_fft_direction, int, gmx_wallcycle*) | libgromacs.so.8 | 0 | 0 | 0 | 0 | 126 | 127 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| __kmp_run_before_invoked_task | libiomp5.so | 0 | 0 | 0 | 0 | 9 | 12 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| std::array<gmx::SimdFloat, 2ul>::array() | libgromacs.so.8 | 0 | NA | 0 | NA | 111 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| n1fv_2 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| Unknown function | [vdso] | 0 | 0 | 0 | 0 | 2 | 1 | NA | NA | 0.01 | 0.00 | 0.01 | 0.00 |
| gmx_reverse_top_t::hasIntermolecularInteractions() const | libgromacs.so.8 | 0 | 0 | 0 | 0 | 6 | 4 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| __GI___libc_free | libc-2.28.so | 0 | 0 | 0 | 0 | 5 | 2 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| unlink_chunk.isra.2 | libc-2.28.so | 0 | 0 | 0 | 0 | 4 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| _IO_file_xsputn | libc-2.28.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| gmx_fft_many_1d(gmx_fft*, gmx_fft_direction, void*, void*) | libgromacs.so.8 | 0 | 0 | 0 | 0 | 3 | 128 | NA | NA | 0.00 | 0.01 | 0.00 | 0.00 |
| n1fv_12 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| __kmp_acquire_ticket_lock | libiomp5.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| n1bv_12 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#153}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0 | NA | 0 | NA | 72 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#156}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0 | NA | 0 | NA | 73 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFBool, 4> genBoolArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#133}>(nbnxm_kernel_Ele... | libgromacs.so.8 | 0 | NA | 0 | NA | 96 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| gmx_pme_do(gmx_pme_t*, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<flo... | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| do_force(_IO_FILE*, t_commrec const*, gmx_multisim_t const*, t_inputrec const&, gmx::Awh*, gmx_enfrot*, gmx::ImdSession*, pull_t*, long, t_nrnb*, gmx_wallcycle*, gmx_localtop_t const*, float const (*) [3], gmx::ArrayRefWithPadding<gmx::BasicVector&l... | libgromacs.so.8 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#130}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0 | NA | 0 | NA | 86 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#157}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0 | NA | 0 | NA | 69 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| n1bv_16 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| L__ZN17_INTERNAL7ad953f013do_stopcm_grpERK9t_mdatomsN3gmx8ArrayRefINS3_11BasicVectorIfEEEES7_RK5t_vcm_372__par_region0_2_55 | libgromacs.so.8 | 0 | NA | 0 | NA | 4 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, false, false, true, 4ul, 4ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool const*... | libgromacs.so.8 | 0 | NA | 0 | NA | 76 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#150}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0 | NA | 0 | NA | 75 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, false, false, true, 4ul, 4ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool const*... | libgromacs.so.8 | 0 | NA | 0 | NA | 84 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| gmx::SettleData::hw2() const | libgromacs.so.8 | 0 | NA | 0 | NA | 22 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| constrained_atom_sigma2(float, atom_nonbonded_kinetic_prop_t const*, float*, float*) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| gmx_reverse_top_t::hasPositionRestraints() const | libgromacs.so.8 | 0 | 0 | 0 | 0 | 6 | 4 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| std::array<gmx::SimdFBool, 4> genBoolArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#132}>(nbnxm_kernel_Ele... | libgromacs.so.8 | 0 | NA | 0 | NA | 96 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#164}>(nbnxm_kernel_ElecEw_... | libgromacs.so.8 | 0 | NA | 0 | NA | 103 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| __kmp_api_omp_get_thread_num | libiomp5.so | 0 | 0 | 0 | 0 | 6 | 9 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| __kmpc_global_thread_num | libiomp5.so | 0 | 0 | 0 | 0 | 121 | 103 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| _int_malloc | libc-2.28.so | 0 | 0 | 0 | 0 | 9 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| _int_free | libc-2.28.so | 0 | NA | 0 | NA | 4 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| _INTERNALdc23a976::__kmp_partition_places(kmp_team*, int) | libiomp5.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| _INTERNALe5e96b6b::nbnxn_atomdata_set_atomtypes(nbnxn_atomdata_t::Params*, Nbnxm::GridSet const&, gmx::ArrayRef<int const>) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| expf | gmx | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
| L__Z25dd_make_local_constraintsP12gmx_domdec_tiRK10gmx_mtop_tN3gmx8ArrayRefIKlEEPNS4_11ConstraintsEiNS5_I15InteractionListEE_430__par_region0_2_52 | libgromacs.so.8 | 0 | NA | 0 | NA | 6 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| L__ZN5Nbnxm7GridSet9putOnGridEPA3_KfiPS1_S4_PKN3gmx15UpdateGroupsCogENS5_5RangeIiEEfNS5_8ArrayRefIKlEENSB_IKNS5_11BasicVectorIfEEEEiPKiP16nbnxn_atomdata_t_212__par_region0_2_55 | libgromacs.so.8 | 0 | NA | 0 | NA | 6 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, false, false, true, 4ul, 4ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool const*... | libgromacs.so.8 | 0 | NA | 0 | NA | 101 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| n1_8 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.02 | NA | 0.01 | NA |
| search0.isra.13 | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.01 | NA | 0.01 | NA |
| _INTERNAL15b136ef::addNewIEntry(NbnxnPairlistCpu*, int, int, int) | libgromacs.so.8 | 0 | NA | 0 | NA | 55 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| _INTERNAL256cd097::Nbnxm::combine_bounding_box_pairs(_INTERNAL256cd097::Nbnxm::Grid const&, gmx::ArrayRef<_INTERNAL256cd097::Nbnxm::BoundingBox const>, gmx::ArrayRef<_INTERNAL256cd097::Nbnxm::BoundingBox>) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| L__ZN5Nbnxm4Grid14setCellIndicesEiiPNS_11GridSetDataEN3gmx8ArrayRefINS_8GridWorkEEENS3_5RangeIiEENS4_IKlEENS4_IKNS3_11BasicVectorIfEEEEiP16nbnxn_atomdata_t_1483__par_region0_2_90 | libgromacs.so.8 | 0 | NA | 0 | NA | 5 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| fftwf_isqrt | libfftw3f.so.3.6.10 | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.01 | NA | 0.01 | NA |
| _INTERNALed97dceb::make_local_bondeds_excls(gmx_domdec_t const&, gmx_domdec_zones_t const&, gmx_mtop_t const&, gmx::ArrayRef<long const>, bool, int const*, bool, float, t_pbc const*, gmx::ArrayRef<gmx::BasicVector<float> const>... | libgromacs.so.8 | 0 | NA | 0 | NA | 5 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| gmx::ListOfLists<int>::appendListOfLists(gmx::ListOfLists<int> const&, int) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| _INTERNALed97dceb::combine_idef(InteractionDefinitions*, gmx::ArrayRef<thread_work_t const>) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| L__Z22setup_bonded_threadingP18bonded_threading_tibRK22InteractionDefinitions_396__par_region0_2_30 | libgromacs.so.8 | 0 | NA | 0 | NA | 5 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| _INTERNAL4e3429d6::clear_and_mark_ind(gmx::ArrayRef<int const>, gmx::ArrayRef<int const>, gmx_ga2la_t*, int*) | libgromacs.so.8 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
| erfcf | gmx | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
