| Name | Module | Coverage (%) | Time (s) | Nb Threads | GFLOP/s | Deviation (coverage) | Deviation (time) |
|---|
| gcc | icc | icx | gcc | icc | icx | gcc | icc | icx | gcc | icc | icx | gcc | icc | icx | gcc | icc | icx |
|---|
| nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*) | libgromacs_mpi.so.7 | 48.89 | NA | 43.39 | 137.95 | NA | 140.36 | 1 | NA | 1 | 52.47 | NA | 49.81 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*) | libgromacs_mpi.so.7.0.0 | NA | 51.38 | NA | NA | 141.07 | NA | NA | 1 | NA | NA | 52.48 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*) | libgromacs_mpi.so.7 | 0 | NA | 18.67 | 0 | NA | 60.39 | 1 | NA | 1 | NA | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*) | libgromacs_mpi.so.7 | 7.32 | NA | 6.47 | 20.65 | NA | 20.94 | 1 | NA | 1 | 60.22 | NA | 57.97 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float) | libgromacs_mpi.so.7 | 4.3 | NA | 4.2 | 12.14 | NA | 13.6 | 1 | NA | 1 | 19.88 | NA | 14.96 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*) | libgromacs_mpi.so.7.0.0 | NA | 7.76 | NA | NA | 21.31 | NA | NA | 1 | NA | NA | 59.62 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone ._omp_fn.1] | libgromacs_mpi.so.7 | 5.14 | NA | NA | 14.5 | NA | NA | 1 | NA | NA | 4.15 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*) | libgromacs_mpi.so.7.0.0 | NA | 4.9 | NA | NA | 13.45 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float) | libgromacs_mpi.so.7.0.0 | NA | 4.75 | NA | NA | 13.05 | NA | NA | 1 | NA | NA | 18.65 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.11] | libgromacs_mpi.so.7 | NA | NA | 4.42 | NA | NA | 14.3 | NA | NA | 1 | NA | NA | 4.99 | NA | NA | 0.00 | NA | NA | 0.00 |
| solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int) | libgromacs_mpi.so.7 | 2.72 | NA | 1.61 | 7.69 | NA | 5.21 | 1 | NA | 1 | 7.22 | NA | 10.32 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| gmx::lincs_matrix_expand(gmx::Lincs const&, gmx::Task const&, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<float>) | libgromacs_mpi.so.7 | NA | NA | 3.55 | NA | NA | 11.47 | NA | NA | 1 | NA | NA | 2.74 | NA | NA | 0.00 | NA | NA | 0.00 |
| _INTERNAL1bba7552::gmx::lincs_matrix_expand(_INTERNAL1bba7552::gmx::Lincs const&, _INTERNAL1bba7552::gmx::Task const&, _INTERNAL1bba7552::gmx::ArrayRef<float const>, _INTERNAL1bba7552::gmx::ArrayRef<float>, _INTERNAL1bba7552::gmx::Array... | libgromacs_mpi.so.7.0.0 | NA | 3.54 | NA | NA | 9.72 | NA | NA | 1 | NA | NA | 6.84 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| nbnxn_kernel_prune_2xnn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float) | libgromacs_mpi.so.7 | 1.86 | NA | 0.82 | 5.26 | NA | 2.64 | 1 | NA | 1 | 21.87 | NA | 43.15 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| gmx::lincs_matrix_expand(gmx::Lincs const&, gmx::Task const&, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<float>) [clone .isra.0] | libgromacs_mpi.so.7 | 2.55 | NA | NA | 7.18 | NA | NA | 1 | NA | NA | 0.70 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| _INTERNALae0e43be::spread_coefficients_bsplines_thread(pmegrid_t const*, PmeAtomComm const*, splinedata_t*, pme_spline_work*) | libgromacs_mpi.so.7.0.0 | NA | 2.52 | NA | NA | 6.93 | NA | NA | 1 | NA | NA | 5.62 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNALae0e43be::make_bsplines(float**, float**, int, float (*) [3], int, int const*, float const*, bool) | libgromacs_mpi.so.7.0.0 | NA | 2.39 | NA | NA | 6.55 | NA | NA | 1 | NA | NA | 5.31 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68] | libgromacs_mpi.so.7 | NA | NA | 2.05 | NA | NA | 6.62 | NA | NA | 1 | NA | NA | 2.44 | NA | NA | 0.00 | NA | NA | 0.00 |
| 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_mpi.so.7 | 0.82 | NA | 0.92 | 2.3 | NA | 2.98 | 1 | NA | 1 | 8.99 | NA | 11.70 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| fftwf_codelet_hc2cfdftv_12_sse2 | libfftw3f.so.3.6.10 | 1.67 | NA | NA | 4.71 | NA | NA | 1 | NA | NA | 5.83 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| 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_mpi.so.7 | 0.88 | NA | 0.7 | 2.47 | NA | 2.27 | 1 | NA | 1 | 7.21 | NA | 8.07 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| mkl_dft_avx512_mg_rowbatch_plain_fwd_096_s | libmkl_avx512.so.2 | NA | 0.82 | 0.74 | NA | 2.25 | 2.39 | NA | 1 | 1 | NA | 23.18 | 23.10 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 |
| fftwf_rdft2_solve | libfftw3f.so.3.6.10 | 1.48 | NA | NA | 4.17 | NA | NA | 1 | NA | NA | 1.29 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| mkl_dft_avx512_mg_rowbatch_plain_bwd_096_s | libmkl_avx512.so.2 | NA | 0.82 | 0.56 | NA | 2.24 | 1.8 | NA | 1 | 1 | NA | 22.93 | 28.76 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 |
| makeClusterListSimd2xnn(Nbnxm::Grid const&, NbnxnPairlistCpu*, int, int, int, bool, float const*, float, float, int*) | libgromacs_mpi.so.7 | 1.26 | NA | NA | 3.54 | NA | NA | 1 | NA | NA | 4.76 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| fftwf_codelet_n1fv_13_avx | libfftw3f.so.3.6.10 | 1.22 | NA | NA | 3.44 | NA | NA | 1 | NA | NA | 3.20 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| 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_mpi.so.7 | 0.65 | NA | 0.56 | 1.82 | NA | 1.82 | 1 | NA | 1 | 3.77 | NA | 3.91 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| fftwf_codelet_n1bv_11_avx | libfftw3f.so.3.6.10 | 1.15 | NA | NA | 3.25 | NA | NA | 1 | NA | NA | 7.14 | NA | NA | 0.00 | NA | NA | 0.00 | NA | 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_mpi.so.7 | 1.14 | NA | NA | 3.2 | NA | NA | 1 | NA | NA | 3.48 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone ._omp_fn.0] | libgromacs_mpi.so.7 | 1.12 | NA | NA | 3.15 | NA | NA | 1 | NA | NA | 0.48 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| _INTERNALb293ce76::makeClusterListSimd2xnn(Nbnxm::Grid const&, NbnxnPairlistCpu*, int, int, int, bool, float const*, float, float, int*) | libgromacs_mpi.so.7.0.0 | NA | 1.09 | NA | NA | 2.99 | NA | NA | 1 | NA | NA | 5.91 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| fftwf_codelet_t2sv_16_sse2 | libfftw3f.so.3.6.10 | 1.04 | NA | NA | 2.94 | NA | NA | 1 | NA | NA | 6.34 | NA | NA | 0.00 | NA | NA | 0.00 | NA | 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_mpi.so.7 | NA | NA | 1 | NA | NA | 3.23 | NA | NA | 1 | NA | NA | 3.21 | NA | NA | 0.00 | NA | NA | 0.00 |
| fftwf_cpy2d | libfftw3f.so.3.6.10 | 0.91 | NA | NA | 2.58 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone ._omp_fn.0] | libgromacs_mpi.so.7 | 0.91 | NA | NA | 2.57 | NA | NA | 1 | NA | NA | 2.22 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| _INTERNALae0e43be::calc_interpolation_idx(gmx_pme_t const*, PmeAtomComm*, int, int, int, int) | libgromacs_mpi.so.7.0.0 | NA | 0.9 | NA | NA | 2.48 | NA | NA | 1 | NA | NA | 2.40 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| __intel_skx_avx512_memcpy | gmx_mpi | NA | 0.89 | NA | NA | 2.43 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| nbnxn_kernel_prune_2xnn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float) | libgromacs_mpi.so.7.0.0 | NA | 0.89 | NA | NA | 2.45 | NA | NA | 1 | NA | NA | 46.56 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| void _INTERNALb293ce76::nbnxn_make_pairlist_part<NbnxnPairlistCpu>(Nbnxm::GridSet const&, Nbnxm::Grid const&, Nbnxm::Grid const&, PairsearchWork*, nbnxn_atomdata_t const*, gmx::ListOfLists<int> const&, float, PairlistType, int, ... | libgromacs_mpi.so.7.0.0 | NA | 0.89 | NA | NA | 2.46 | NA | NA | 1 | NA | NA | 0.56 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| 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>, gmx::ArrayRef<float>, gmx::ArrayRef<bool>, gmx::ArrayRef<unsigned short>, ... | libgromacs_mpi.so.7 | 0.76 | NA | 0.09 | 2.15 | NA | 0.29 | 1 | NA | 1 | 3.63 | NA | 2.52 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| void gmx::settleTemplate<gmx::SimdFloat, gmx::SimdFBool, 16, float const*, true, false>(gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*, float (*) [3], bool*) [clone .constprop.0] | libgromacs_mpi.so.7 | 0.85 | NA | NA | 2.41 | NA | NA | 1 | NA | NA | 9.83 | NA | NA | 0.00 | NA | NA | 0.00 | NA | 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_mpi.so.7 | 0 | NA | 0.84 | 0 | NA | 2.71 | 1 | NA | 1 | NA | NA | 8.97 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| pbc_dx_aiuc(t_pbc const*, float const*, float const*, float*) | libgromacs_mpi.so.7 | 0.43 | NA | 0.39 | 1.21 | NA | 1.26 | 1 | NA | 1 | 1.64 | NA | 1.71 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.18] | libgromacs_mpi.so.7 | NA | NA | 0.79 | NA | NA | 2.56 | NA | NA | 1 | NA | NA | 2.21 | NA | NA | 0.00 | NA | NA | 0.00 |
| mkl_dft_avx512_ipps_cFFTfwd_64_32fc | libmkl_avx512.so.2 | NA | 0.41 | 0.36 | NA | 1.13 | 1.17 | NA | 1 | 1 | NA | 17.84 | 17.50 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 |
| _INTERNAL1bba7552::gmx::lincs_update_atoms_noind(int, _INTERNAL1bba7552::gmx::ArrayRef<_INTERNAL1bba7552::gmx::AtomPair const>, float, _INTERNAL1bba7552::gmx::ArrayRef<float const>, _INTERNAL1bba7552::gmx::ArrayRef<_INTERNAL1bba7552::gmx::Ba... | libgromacs_mpi.so.7.0.0 | NA | 0.76 | NA | NA | 2.07 | NA | NA | 1 | NA | NA | 2.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| mkl_dft_avx512_ipps_cFFTinv_64_32fc | libmkl_avx512.so.2 | NA | 0.42 | 0.33 | NA | 1.16 | 1.08 | NA | 1 | 1 | NA | 20.00 | 21.48 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 |
| __intel_avx_rep_memcpy | gmx_mpi | NA | NA | 0.71 | NA | NA | 2.31 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
| copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int) | libgromacs_mpi.so.7 | 0.64 | NA | 0.05 | 1.81 | NA | 0.15 | 1 | NA | 1 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| (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_mpi.so.7 | 0.69 | NA | NA | 1.96 | NA | NA | 1 | NA | NA | 11.84 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| fftwf_codelet_t1fv_32_avx | libfftw3f.so.3.6.10 | 0.64 | NA | NA | 1.82 | NA | NA | 1 | NA | NA | 15.65 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| void do_pairs_simple<gmx::SimdFloat, 16, float const*>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float const*, gmx::ArrayRef<float>, float) | libgromacs_mpi.so.7 | NA | NA | 0.63 | NA | NA | 2.05 | NA | NA | 1 | NA | NA | 4.27 | NA | NA | 0.00 | NA | NA | 0.00 |
| fftwf_codelet_t1bv_32_avx | libfftw3f.so.3.6.10 | 0.62 | NA | NA | 1.75 | NA | NA | 1 | NA | NA | 14.67 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int) | libgromacs_mpi.so.7.0.0 | NA | 0.62 | NA | NA | 1.69 | NA | NA | 1 | NA | NA | 18.45 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNAL1bba7552::gmx::do_lincs(_INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector<float> const>, _INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector<float> >, float const (*... | libgromacs_mpi.so.7.0.0 | NA | 0.6 | NA | NA | 1.65 | NA | NA | 1 | NA | NA | 1.49 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| __nss_database_lookup | libc.so.6 | 0.58 | 0.01 | 0.01 | 1.63 | 0.02 | 0.04 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
| mkl_dft_avx512_owns_cRealRecombine_32f | libmkl_avx512.so.2 | NA | 0.3 | 0.28 | NA | 0.84 | 0.91 | NA | 1 | 1 | NA | 13.94 | 12.52 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 |
| copy_pmegrid_to_fftgrid(gmx_pme_t const*, float const*, float*, int) | libgromacs_mpi.so.7 | 0.55 | NA | 0.01 | 1.54 | NA | 0.02 | 1 | NA | 1 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| void _INTERNAL4f3e572d::gmx::__regcall3__gatherLoadUTranspose<3, _INTERNAL4f3e572d::gmx::SimdFloat*, _INTERNAL4f3e572d::gmx::SimdFloat*>(float const*, int const*, _INTERNAL4f3e572d::gmx::SimdFloat*, _INTERNAL4f3e572d::gmx::SimdFloat*, _INTERNAL4f3e57... | libgromacs_mpi.so.7.0.0 | NA | 0.56 | NA | NA | 1.54 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int) | libgromacs_mpi.so.7 | 0.29 | NA | 0.24 | 0.83 | NA | 0.77 | 1 | NA | 1 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| void _INTERNAL5738f0d5::do_pairs_simple<gmx::SimdFloat, 16, float const*>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float const*, gmx::ArrayRef<float>, float) | libgromacs_mpi.so.7.0.0 | NA | 0.53 | NA | NA | 1.46 | NA | NA | 1 | NA | NA | 4.13 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNAL1bba7552::gmx::__regcall3__calc_dr_x_xp_simd(int, int, _INTERNAL1bba7552::gmx::ArrayRef<_INTERNAL1bba7552::gmx::AtomPair const>, float const (*) [3], float const (*) [3], float const*, float const*, float const*, float (*) [3], float*, floa... | libgromacs_mpi.so.7.0.0 | NA | 0.5 | NA | NA | 1.36 | NA | NA | 1 | NA | NA | 3.06 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNALc075c6e4::(anonymous namespace)::dih_angle_simd(float const (*) [3], int const*, int const*, int const*, int const*, float const*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat... | libgromacs_mpi.so.7.0.0 | NA | 0.48 | NA | NA | 1.31 | NA | NA | 1 | NA | NA | 9.40 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| __intel_skx_avx512_memset | gmx_mpi | NA | 0.44 | NA | NA | 1.22 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNALc075c6e4::(anonymous namespace)::__regcall3__do_dih_fup_noshiftf_simd(int const*, int const*, int const*, int const*, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, f... | libgromacs_mpi.so.7.0.0 | NA | 0.44 | NA | NA | 1.19 | NA | NA | 1 | NA | NA | 2.49 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| evaluate_single(float, float, float const*, float, float, float, float, float*, float*) | libgromacs_mpi.so.7 | 0.24 | NA | 0.18 | 0.68 | NA | 0.57 | 1 | NA | 1 | 0.85 | NA | 1.07 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| pbc_dx_aiuc(t_pbc const*, float const*, float const*, float*) | libgromacs_mpi.so.7.0.0 | NA | 0.41 | NA | NA | 1.13 | NA | NA | 1 | NA | NA | 0.94 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| void _INTERNALc075c6e4::gmx::__regcall3__gatherLoadBySimdIntTranspose<3, _INTERNALc075c6e4::gmx::SimdFloat*, _INTERNALc075c6e4::gmx::SimdFloat*>(float const*, _INTERNALc075c6e4::gmx::SimdFInt32, _INTERNALc075c6e4::gmx::SimdFloat*, _INTERNALc075c6e4::... | libgromacs_mpi.so.7.0.0 | NA | 0.41 | NA | NA | 1.13 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| gmx::Update::Impl::update_coords(t_inputrec const&, long, int, bool, gmx::ArrayRef<ParticleType const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const [3]>, t_state*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> co... | libgromacs_mpi.so.7 | 0.4 | NA | NA | 1.11 | NA | NA | 1 | NA | NA | 4.08 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| void _INTERNALc075c6e4::gmx::__regcall3__transposeScatterIncrU<4>(float*, int const*, _INTERNALc075c6e4::gmx::SimdFloat, _INTERNALc075c6e4::gmx::SimdFloat, _INTERNALc075c6e4::gmx::SimdFloat) | libgromacs_mpi.so.7.0.0 | NA | 0.39 | NA | NA | 1.06 | NA | NA | 1 | NA | NA | 7.36 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| __intel_avx_rep_memset | gmx_mpi | NA | NA | 0.38 | NA | NA | 1.23 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
| std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNALc075c6e4::(anonymous namespace)::angles<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc co... | libgromacs_mpi.so.7.0.0 | NA | 0.38 | NA | NA | 1.05 | NA | NA | 1 | NA | NA | 12.19 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _ZN12_GLOBAL__N_124do_dih_fup_noshiftf_simdEPKiS1_S1_S1_N3gmx9SimdFloatES3_S3_S3_S3_S3_S3_S3_PA4_f@@608 | libgromacs_mpi.so.7 | NA | NA | 0.38 | NA | NA | 1.21 | NA | NA | 1 | NA | NA | 6.12 | NA | NA | 0.00 | NA | NA | 0.00 |
| std::enable_if<std::is_same<float [3], float [3]>::value||std::is_same<float [3], float const [3]>::value, void>::type _INTERNAL568e5334::updateMDLeapfrogSimpleSimd<(StoreUpdatedVelocities)0, float [3]>(int, int, float, gmx::ArrayRe... | libgromacs_mpi.so.7.0.0 | NA | 0.36 | NA | NA | 0.97 | NA | NA | 1 | NA | NA | 4.45 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| mkl_dft_avx512_owns_cCcsRecombine_32f | libmkl_avx512.so.2 | NA | 0.19 | 0.16 | NA | 0.51 | 0.51 | NA | 1 | 1 | NA | 17.35 | 13.53 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 |
| float _INTERNAL5738f0d5::do_pairs_general<(BondedKernelFlavor)2>(int, int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float const*, float*, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gm... | libgromacs_mpi.so.7.0.0 | NA | 0.33 | NA | NA | 0.91 | NA | NA | 1 | NA | NA | 1.22 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| fftwf_codelet_hc2cfdft_2 | libfftw3f.so.3.6.10 | 0.32 | NA | NA | 0.9 | NA | NA | 1 | NA | NA | 0.10 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| gmx::Update::Impl::update_coords(t_inputrec const&, long, int, bool, gmx::ArrayRef<ParticleType const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const [3]>, t_state*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> co... | libgromacs_mpi.so.7 | NA | NA | 0.32 | NA | NA | 1.02 | NA | NA | 1 | NA | NA | 5.83 | NA | NA | 0.00 | NA | NA | 0.00 |
| fftwf_codelet_n1bv_64_avx | libfftw3f.so.3.6.10 | 0.32 | NA | NA | 0.91 | NA | NA | 1 | NA | NA | 12.04 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNALc075c6e4::(anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3],... | libgromacs_mpi.so.7.0.0 | NA | 0.31 | NA | NA | 0.86 | NA | NA | 1 | NA | NA | 1.78 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| 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_mpi.so.7 | 0.19 | NA | 0.12 | 0.53 | NA | 0.4 | 1 | NA | 1 | 2.68 | NA | 4.90 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| _INTERNALc226143a::energyDrift(gmx::ArrayRef<VerletbufAtomtype const>, gmx_ffparams_t const*, float, pot_derivatives_t const*, pot_derivatives_t const*, pot_derivatives_t const*, float, float, float, float) | libgromacs_mpi.so.7.0.0 | NA | 0.31 | NA | NA | 0.86 | NA | NA | 1 | NA | NA | 1.72 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNALa817b2b7::nbnxn_atomdata_add_nbat_f_to_f_part(Nbnxm::GridSet const&, nbnxn_atomdata_t const&, nbnxn_atomdata_output_t const&, int, int, float (*) [3]) | libgromacs_mpi.so.7.0.0 | NA | 0.3 | NA | NA | 0.81 | NA | NA | 1 | NA | NA | 1.05 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| fftwf_codelet_n2fv_32_avx | libfftw3f.so.3.6.10 | 0.3 | NA | NA | 0.84 | NA | NA | 1 | NA | NA | 13.24 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| dih_angle(float const*, float const*, float const*, float const*, t_pbc const*, float*, float*, float*, float*, float*, int*, int*, int*) | libgromacs_mpi.so.7 | 0.17 | NA | 0.12 | 0.48 | NA | 0.38 | 1 | NA | 1 | 1.25 | NA | 1.55 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int) | libgromacs_mpi.so.7.0.0 | NA | 0.29 | NA | NA | 0.81 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| f64xsubf128 | libm.so.6 | 0.28 | NA | NA | 0.8 | NA | NA | 1 | NA | NA | 1.15 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| DftiComputeForward | libmkl_intel_lp64.so.2 | NA | 0.17 | 0.11 | NA | 0.47 | 0.37 | NA | 1 | 1 | NA | 12.94 | 19.46 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 |
| _INTERNALf8156861::gmx::SimdFloat _INTERNALf8156861::gmx::__regcall3__exp<(MathOptimization)0>(_INTERNALf8156861::gmx::SimdFloat) | libgromacs_mpi.so.7.0.0 | NA | 0.28 | NA | NA | 0.76 | NA | NA | 1 | NA | NA | 39.16 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies() | libgromacs_mpi.so.7 | 0.14 | NA | 0.13 | 0.4 | NA | 0.41 | 1 | NA | 1 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| fftwf_rdft_solve | libfftw3f.so.3.6.10 | 0.27 | NA | NA | 0.77 | NA | NA | 1 | NA | NA | 1.26 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| fftwf_transpose | libfftw3f.so.3.6.10 | 0.26 | NA | NA | 0.75 | NA | NA | 1 | NA | NA | 15.03 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| reduceForces(nbnxn_atomdata_t*, gmx::AtomLocality, Nbnxm::GridSet const&, float (*) [3]) [clone .extracted] | libgromacs_mpi.so.7 | NA | NA | 0.26 | NA | NA | 0.83 | NA | NA | 1 | NA | NA | 1.06 | NA | NA | 0.00 | NA | NA | 0.00 |
| reduceForces(nbnxn_atomdata_t*, gmx::AtomLocality, Nbnxm::GridSet const&, float (*) [3]) [clone ._omp_fn.0] | libgromacs_mpi.so.7 | 0.26 | NA | NA | 0.75 | NA | NA | 1 | NA | NA | 1.05 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| void _INTERNAL4f3e572d::gmx::__regcall3__transposeScatterStoreU<3>(float*, int const*, _INTERNAL4f3e572d::gmx::SimdFloat, _INTERNAL4f3e572d::gmx::SimdFloat, _INTERNAL4f3e572d::gmx::SimdFloat) | libgromacs_mpi.so.7.0.0 | NA | 0.25 | NA | NA | 0.68 | NA | NA | 1 | NA | NA | 7.29 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| atanf | libm.so.6 | 0.25 | NA | NA | 0.7 | NA | NA | 1 | NA | NA | 0.34 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNALc075c6e4::(anonymous namespace)::pdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc con... | libgromacs_mpi.so.7.0.0 | NA | 0.25 | NA | NA | 0.7 | NA | NA | 1 | NA | NA | 3.20 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| DftiComputeBackward | libmkl_intel_lp64.so.2 | NA | 0.12 | 0.09 | NA | 0.32 | 0.3 | NA | 1 | 1 | NA | 20.00 | 21.87 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 |
| bond_angle(float const*, float const*, float const*, t_pbc const*, float*, float*, float*, int*, int*) | libgromacs_mpi.so.7 | 0.11 | NA | 0.09 | 0.31 | NA | 0.28 | 1 | NA | 1 | 1.16 | NA | 1.68 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| L__ZN3gmx6Update4Impl13finish_updateERK10t_inputrecbiNS_8ArrayRefIKtEEP7t_stateP13gmx_wallcycleb_1637__par_region0_2_148 | libgromacs_mpi.so.7.0.0 | NA | 0.2 | NA | NA | 0.55 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNALc6865387::setupForceOutputs(ForceHelperBuffers*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::DomainLifetimeWorkload const&, gmx::StepWorkload const&, bool, gmx_wallcycle*) | libgromacs_mpi.so.7.0.0 | NA | 0.2 | NA | NA | 0.55 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| L__ZN17_INTERNALd056bbd43gmx12_GLOBAL__N_124reduceThreadForceBuffersIA4_fEEvNS0_8ArrayRefINS0_11BasicVectorIfEEEENS4_ISt10unique_ptrINS0_17ThreadForceBufferIT_EESt14default_deleteISB_EEEENS4_IKSt5arrayImLm2EEEENS4_IKiEE_170__par_region0_2_127 | libgromacs_mpi.so.7.0.0 | NA | 0.19 | NA | NA | 0.52 | NA | NA | 1 | NA | NA | 1.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| 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_mpi.so.7 | 0.06 | NA | 0.13 | 0.16 | NA | 0.43 | 1 | NA | 1 | 1.94 | NA | 1.23 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| clearForceBuffer(nbnxn_atomdata_t*, int) | libgromacs_mpi.so.7.0.0 | NA | 0.19 | NA | NA | 0.53 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| erfcf | libm.so.6 | 0.18 | NA | NA | 0.49 | NA | NA | 1 | NA | NA | 1.63 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| wrap_periodic_pmegrid(gmx_pme_t const*, float*) | libgromacs_mpi.so.7 | 0.08 | NA | 0.1 | 0.23 | NA | 0.31 | 1 | NA | 1 | 0.96 | NA | 0.74 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| calc_ke_part_normal(gmx::ArrayRef<gmx::BasicVector<float> const>, t_grpopts const*, t_mdatoms const*, gmx_ekindata_t*, t_nrnb*, bool) [clone ._omp_fn.0] | libgromacs_mpi.so.7 | 0.18 | NA | NA | 0.49 | NA | NA | 1 | NA | NA | 3.31 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| __acosf_finite | libm.so.6 | 0.18 | NA | NA | 0.5 | NA | NA | 1 | NA | NA | 0.74 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| 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) [clone .isra.0] | libgromacs_mpi.so.7 | 0.18 | NA | NA | 0.5 | NA | NA | 1 | NA | NA | 1.26 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| mkl_dft_avx512_ippsFFTInv_CCSToR_32f | libmkl_avx512.so.2 | NA | 0.09 | 0.09 | NA | 0.24 | 0.29 | NA | 1 | 1 | NA | 10.00 | 6.07 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 |
| energyDriftAtomPair(bool, bool, float, float, float, float, pot_derivatives_t const*) | libgromacs_mpi.so.7 | NA | NA | 0.18 | NA | NA | 0.59 | NA | NA | 1 | NA | NA | 1.83 | NA | NA | 0.00 | NA | NA | 0.00 |
| __libm_atan2f_l9 | libgromacs_mpi.so.7.0.0 | NA | 0.18 | NA | NA | 0.48 | NA | NA | 1 | NA | NA | 1.27 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| void _INTERNAL4f3e572d::gmx::settleTemplate<_INTERNAL4f3e572d::gmx::SimdFloat, _INTERNAL4f3e572d::gmx::SimdFBool, 16, float const*, true, false>(_INTERNAL4f3e572d::gmx::SettleData const&, int, int, float const*, float const*, float*, float, float... | libgromacs_mpi.so.7.0.0 | NA | 0.18 | NA | NA | 0.48 | NA | NA | 1 | NA | NA | 36.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| __libm_sse2_sincosf | libgromacs_mpi.so.7.0.0 | NA | 0.17 | NA | NA | 0.47 | NA | NA | 1 | NA | NA | 1.30 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNALb293ce76::setExclusionsForIEntry(Nbnxm::GridSet const&, NbnxnPairlistCpu*, bool, int, nbnxn_ci_t const&, gmx::ListOfLists<int> const&) | libgromacs_mpi.so.7.0.0 | NA | 0.17 | NA | NA | 0.45 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| L__ZN17_INTERNAL727fa8dd19calc_ke_part_normalEN3gmx8ArrayRefIKNS0_11BasicVectorIfEEEEPK9t_grpoptsPK9t_mdatomsP14gmx_ekindata_tP6t_nrnbb_113__par_region0_2_11 | libgromacs_mpi.so.7.0.0 | NA | 0.17 | NA | NA | 0.45 | NA | NA | 1 | NA | NA | 3.44 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| __libm_atan2f_l9 | gmx_mpi | NA | NA | 0.17 | NA | NA | 0.55 | NA | NA | 1 | NA | NA | 0.96 | NA | NA | 0.00 | NA | NA | 0.00 |
| gmx::Update::Impl::finish_update(t_inputrec const&, bool, int, gmx::ArrayRef<unsigned short const>, t_state*, gmx_wallcycle*, bool) [clone .extracted] | libgromacs_mpi.so.7 | NA | NA | 0.16 | NA | NA | 0.51 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
| gmx::Update::Impl::finish_update(t_inputrec const&, bool, int, gmx::ArrayRef<unsigned short const>, t_state*, gmx_wallcycle*, bool) [clone ._omp_fn.0] | libgromacs_mpi.so.7 | 0.16 | NA | NA | 0.44 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| dih_angle(float const*, float const*, float const*, float const*, t_pbc const*, float*, float*, float*, float*, float*, int*, int*, int*) | libgromacs_mpi.so.7.0.0 | NA | 0.15 | NA | NA | 0.4 | NA | NA | 1 | NA | NA | 1.45 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNAL1bba7552::gmx::__regcall3__calc_dist_iter_simd(int, int, _INTERNAL1bba7552::gmx::ArrayRef<_INTERNAL1bba7552::gmx::AtomPair const>, float const (*) [3], float const*, float const*, float const*, float, float*, float*, bool*) | libgromacs_mpi.so.7.0.0 | NA | 0.15 | NA | NA | 0.42 | NA | NA | 1 | NA | NA | 7.62 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNALc075c6e4::(anonymous namespace)::angles<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3]... | libgromacs_mpi.so.7.0.0 | NA | 0.15 | NA | NA | 0.42 | NA | NA | 1 | NA | NA | 3.17 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| void _INTERNAL5738f0d5::gmx::__regcall3__transposeScatterIncrU<4>(float*, int const*, _INTERNAL5738f0d5::gmx::SimdFloat, _INTERNAL5738f0d5::gmx::SimdFloat, _INTERNAL5738f0d5::gmx::SimdFloat) | libgromacs_mpi.so.7.0.0 | NA | 0.14 | NA | NA | 0.38 | NA | NA | 1 | NA | NA | 4.21 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| setupForceOutputs(ForceHelperBuffers*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::DomainLifetimeWorkload const&, gmx::StepWorkload const&, bool, gmx_wallcycle*) [clone .isra.0] | libgromacs_mpi.so.7 | 0.14 | NA | NA | 0.39 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| setupForceOutputs(ForceHelperBuffers*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::DomainLifetimeWorkload const&, gmx::StepWorkload const&, bool, gmx_wallcycle*) | libgromacs_mpi.so.7 | NA | NA | 0.14 | NA | NA | 0.44 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
| parse_printf_format | libc.so.6 | 0.05 | 0.05 | 0.04 | 0.14 | 0.14 | 0.14 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
| 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_mpi.so.7 | NA | NA | 0.13 | NA | NA | 0.4 | NA | NA | 1 | NA | NA | 2.13 | NA | NA | 0.00 | NA | NA | 0.00 |
| 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_mpi.so.7 | 0.13 | NA | NA | 0.36 | NA | NA | 1 | NA | NA | 2.03 | NA | NA | 0.00 | NA | NA | 0.00 | NA | 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_mpi.so.7 | NA | NA | 0.13 | NA | NA | 0.42 | NA | NA | 1 | NA | NA | 1.55 | NA | NA | 0.00 | NA | NA | 0.00 |
| __libm_sincosf_e7 | gmx_mpi | NA | NA | 0.13 | NA | NA | 0.4 | NA | NA | 1 | NA | NA | 1.30 | NA | NA | 0.00 | NA | NA | 0.00 |
| approx_2dof(float, float, float*, float*) | libgromacs_mpi.so.7 | 0.13 | NA | NA | 0.36 | NA | NA | 1 | NA | NA | 1.42 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| compute_mg_row_fwd | libmkl_avx512.so.2 | NA | 0.07 | 0.06 | NA | 0.2 | 0.18 | NA | 1 | 1 | NA | 3.20 | 5.33 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 |
| 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_mpi.so.7 | 0.05 | NA | 0.08 | 0.15 | NA | 0.25 | 1 | NA | 1 | 6.67 | NA | 9.60 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| _INTERNALc075c6e4::gmx::__regcall3__sincos(_INTERNALc075c6e4::gmx::SimdFloat, _INTERNALc075c6e4::gmx::SimdFloat*, _INTERNALc075c6e4::gmx::SimdFloat*) | libgromacs_mpi.so.7.0.0 | NA | 0.12 | NA | NA | 0.32 | NA | NA | 1 | NA | NA | 40.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| fftwf_codelet_hf_32 | libfftw3f.so.3.6.10 | 0.12 | NA | NA | 0.33 | NA | NA | 1 | NA | NA | 1.48 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| energyDriftAtomPair(bool, bool, float, float, float, float, pot_derivatives_t const*) [clone .isra.0] | libgromacs_mpi.so.7 | 0.12 | NA | NA | 0.32 | NA | NA | 1 | NA | NA | 1.09 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| bond_angle(float const*, float const*, float const*, t_pbc const*, float*, float*, float*, int*, int*) | libgromacs_mpi.so.7.0.0 | NA | 0.12 | NA | NA | 0.32 | NA | NA | 1 | NA | NA | 1.31 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNALc075c6e4::gmx::__regcall3__atan(_INTERNALc075c6e4::gmx::SimdFloat) | libgromacs_mpi.so.7.0.0 | NA | 0.12 | NA | NA | 0.33 | NA | NA | 1 | NA | NA | 16.97 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNALb293ce76::closeIEntry(NbnxnPairlistCpu*, int, bool, float, int, int) | libgromacs_mpi.so.7.0.0 | NA | 0.12 | NA | NA | 0.34 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| void _INTERNALc075c6e4::gmx::__regcall3__transposeScatterDecrU<4>(float*, int const*, _INTERNALc075c6e4::gmx::SimdFloat, _INTERNALc075c6e4::gmx::SimdFloat, _INTERNALc075c6e4::gmx::SimdFloat) | libgromacs_mpi.so.7.0.0 | NA | 0.12 | NA | NA | 0.34 | NA | NA | 1 | NA | NA | 3.18 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| fftwf_codelet_hb_32 | libfftw3f.so.3.6.10 | 0.12 | NA | NA | 0.34 | NA | NA | 1 | NA | NA | 4.15 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| compute_mg_row_bwd | libmkl_avx512.so.2 | NA | 0.05 | 0.06 | NA | 0.14 | 0.18 | NA | 1 | 1 | NA | 4.57 | 2.22 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 |
| mkl_dft_avx512_ippsFFTFwd_RToPerm_32f | libmkl_avx512.so.2 | NA | 0.06 | 0.04 | NA | 0.17 | 0.14 | NA | 1 | 1 | NA | 10.35 | 12.57 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 |
| __libm_acosf_l9 | libgromacs_mpi.so.7.0.0 | NA | 0.1 | NA | NA | 0.27 | NA | NA | 1 | NA | NA | 0.41 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| float (anonymous namespace)::dopdihs<(BondedKernelFlavor)2>(float, float, float, float, int, float, float, float*, float*) | libgromacs_mpi.so.7 | 0.1 | NA | NA | 0.29 | NA | NA | 1 | NA | NA | 1.10 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| compute_1d_small_fwd | libmkl_avx512.so.2 | NA | 0.07 | 0.02 | NA | 0.18 | 0.08 | NA | 1 | 1 | NA | 10.67 | 16.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 |
| void _INTERNAL5738f0d5::gmx::__regcall3__transposeScatterDecrU<4>(float*, int const*, _INTERNAL5738f0d5::gmx::SimdFloat, _INTERNAL5738f0d5::gmx::SimdFloat, _INTERNAL5738f0d5::gmx::SimdFloat) | libgromacs_mpi.so.7.0.0 | NA | 0.09 | NA | NA | 0.25 | NA | NA | 1 | NA | NA | 1.12 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| void gmx::settleTemplate<gmx::SimdFloat, gmx::SimdFBool, 16, float const*, true, true>(gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*, float (*) [3], bool*) | libgromacs_mpi.so.7 | 0.09 | NA | NA | 0.26 | NA | NA | 1 | NA | NA | 11.08 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| __libm_erfcf_ex | gmx_mpi | NA | NA | 0.09 | NA | NA | 0.27 | NA | NA | 1 | NA | NA | 2.00 | NA | NA | 0.00 | NA | NA | 0.00 |
| __libm_erfcf_ex | libgromacs_mpi.so.7.0.0 | NA | 0.09 | NA | NA | 0.24 | NA | NA | 1 | NA | NA | 2.04 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| mkl_serv_verbose_mode | libmkl_core.so.2 | NA | 0.05 | 0.04 | NA | 0.15 | 0.12 | NA | 1 | 1 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 |
| calc_x_times_f(int, float const (*) [3], float const (*) [3], bool, float const (*) [3], float (*) [3]) | libgromacs_mpi.so.7 | 0.09 | NA | NA | 0.24 | NA | NA | 1 | NA | NA | 2.25 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| __libm_acosf_l9 | gmx_mpi | NA | NA | 0.09 | NA | NA | 0.28 | NA | NA | 1 | NA | NA | 0.11 | NA | NA | 0.00 | NA | NA | 0.00 |
| int _INTERNAL80d859f8::assignInteractionsForAtom<true>(AtomIndexSet const&, reverse_ilist_t const&, gmx_ga2la_t const&, gmx_domdec_zones_t const&, bool, int const*, bool, float, t_pbc const*, gmx::ArrayRef<gmx::BasicVector<float... | libgromacs_mpi.so.7.0.0 | NA | 0.09 | NA | NA | 0.24 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | 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_mpi.so.7 | NA | NA | 0.08 | NA | NA | 0.25 | NA | NA | 1 | NA | NA | 5.08 | NA | NA | 0.00 | NA | NA | 0.00 |
| mkl_dft_avx512_ippsDFTInv_CCSToR_32f | libmkl_avx512.so.2 | NA | 0.04 | 0.04 | NA | 0.12 | 0.13 | NA | 1 | 1 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 |
| wrap_periodic_pmegrid(gmx_pme_t const*, float*) | libgromacs_mpi.so.7.0.0 | NA | 0.08 | NA | NA | 0.21 | NA | NA | 1 | NA | NA | 1.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| __libm_exp_l9 | libgromacs_mpi.so.7.0.0 | NA | 0.08 | NA | NA | 0.22 | NA | NA | 1 | NA | NA | 0.73 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| __libm_exp_l9 | gmx_mpi | NA | NA | 0.08 | NA | NA | 0.25 | NA | NA | 1 | NA | NA | 0.76 | NA | NA | 0.00 | NA | NA | 0.00 |
| 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_mpi.so.7 | 0.08 | NA | NA | 0.21 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| Unknown function | libgromacs_mpi.so.7 | 0.02 | NA | 0.06 | 0.06 | NA | 0.18 | 1 | NA | 1 | 1.50 | NA | 8.56 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| calcVerletBufferSize(gmx_mtop_t const&, float, t_inputrec const&, int, int, float, VerletbufListSetup const&) | libgromacs_mpi.so.7 | 0.04 | NA | 0.04 | 0.12 | NA | 0.14 | 1 | NA | 1 | 1.92 | NA | 2.14 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| _INTERNALc075c6e4::gmx::__regcall3__asin(_INTERNALc075c6e4::gmx::SimdFloat) | libgromacs_mpi.so.7.0.0 | NA | 0.07 | NA | NA | 0.18 | NA | NA | 1 | NA | NA | 15.11 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| mkl_dft_avx512_ippsDFTFwd_RToCCS_32f | libmkl_avx512.so.2 | NA | 0.04 | 0.03 | NA | 0.12 | 0.09 | NA | 1 | 1 | NA | 9.33 | 30.22 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 |
| compute_1d_small_bwd | libmkl_avx512.so.2 | NA | 0.03 | 0.04 | NA | 0.08 | 0.12 | NA | 1 | 1 | NA | 20.00 | 18.67 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 |
| _IO_vfprintf | libc.so.6 | 0.03 | 0.02 | 0.01 | 0.07 | 0.05 | 0.04 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
| unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone .extracted] | libgromacs_mpi.so.7 | NA | NA | 0.06 | NA | NA | 0.2 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
| void _INTERNAL80d859f8::make_exclusions_zone<true>(gmx::ArrayRef<int const>, gmx_ga2la_t const&, gmx_domdec_zones_t const&, gmx::ArrayRef<MolblockIndices const>, std::vector<gmx_moltype_t, std::allocator<gmx_moltype_t> &g... | libgromacs_mpi.so.7.0.0 | NA | 0.06 | NA | NA | 0.17 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNAL568e5334::do_update_md(int, int, float, long, float const (*) [3], float (*) [3], float (*) [3], float const (*) [3], TemperatureCoupling, PressureCoupling, int, int, gmx::ArrayRef<unsigned short const>, bool, gmx::ArrayRef<unsigned short... | libgromacs_mpi.so.7.0.0 | NA | 0.06 | NA | NA | 0.17 | NA | NA | 1 | NA | NA | 2.82 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| __atan2f_finite | libm.so.6 | 0.06 | NA | NA | 0.16 | NA | NA | 1 | NA | NA | 2.81 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| unwrap_periodic_pmegrid(gmx_pme_t*, float*) | libgromacs_mpi.so.7.0.0 | NA | 0.06 | NA | NA | 0.17 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNAL4f3e572d::__regcall3__pbc_dx_aiuc(float const*, gmx::SimdFloat const*, gmx::SimdFloat const*, gmx::SimdFloat*) | libgromacs_mpi.so.7.0.0 | NA | 0.06 | NA | NA | 0.16 | NA | NA | 1 | NA | NA | 22.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| quicksort | gmx_mpi | NA | NA | 0.06 | NA | NA | 0.18 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
| 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_mpi.so.7 | NA | NA | 0.05 | NA | NA | 0.15 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
| 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_mpi.so.7 | 0.05 | NA | NA | 0.15 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone ._omp_fn.1] | libgromacs_mpi.so.7 | 0.05 | NA | NA | 0.16 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| fftwf_dft_solve | libfftw3f.so.3.6.10 | 0.05 | NA | NA | 0.13 | NA | NA | 1 | NA | NA | 16.23 | NA | NA | 0.00 | NA | NA | 0.00 | NA | 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_mpi.so.7 | 0.01 | NA | 0.04 | 0.02 | NA | 0.12 | 1 | NA | 1 | 3.50 | NA | 1.50 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| _INTERNALc075c6e4::gmx::SimdFloat _INTERNALc075c6e4::gmx::__regcall3__sqrt<(MathOptimization)0>(_INTERNALc075c6e4::gmx::SimdFloat) | libgromacs_mpi.so.7.0.0 | NA | 0.05 | NA | NA | 0.14 | NA | NA | 1 | NA | NA | 27.43 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| __libm_expf_l9 | libgromacs_mpi.so.7.0.0 | NA | 0.05 | NA | NA | 0.15 | NA | NA | 1 | NA | NA | 0.67 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| __xpg_basename | libc.so.6 | 0.01 | 0.02 | 0.02 | 0.03 | 0.05 | 0.06 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
| unknown_kernel_region | kernel | 0.03 | 0.01 | 0.01 | 0.09 | 0.04 | 0.02 | 1 | 1 | 1 | 1.78 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
| gmx_fft_many_1d(gmx_fft*, gmx_fft_direction, void*, void*) | libgromacs_mpi.so.7.0.0 | NA | 0.04 | NA | NA | 0.1 | NA | NA | 1 | NA | NA | 13.60 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| gmx_fft_1d_real(gmx_fft*, gmx_fft_direction, void*, void*) | libgromacs_mpi.so.7.0.0 | NA | 0.04 | NA | NA | 0.12 | NA | NA | 1 | NA | NA | 9.33 | NA | NA | 0.00 | NA | 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>) [clone ._omp_fn.0] | libgromacs_mpi.so.7 | 0.04 | NA | NA | 0.11 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| _INTERNAL5ce61142::Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>) | libgromacs_mpi.so.7.0.0 | NA | 0.04 | NA | NA | 0.11 | NA | NA | 1 | NA | NA | 0.18 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNALb293ce76::makeClusterListWrapper(NbnxnPairlistCpu*, Nbnxm::Grid const&, int, Nbnxm::Grid const&, int, int, bool, nbnxn_atomdata_t const*, float, float, ClusterDistanceKernelType, int*) | libgromacs_mpi.so.7.0.0 | NA | 0.04 | NA | NA | 0.1 | NA | NA | 1 | NA | NA | 0.50 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| 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_mpi.so.7 | 0.02 | NA | 0.02 | 0.06 | NA | 0.06 | 1 | NA | 1 | 1.17 | NA | 1.83 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| Unknown function | libgromacs_mpi.so.7.0.0 | NA | 0.04 | NA | NA | 0.12 | NA | NA | 1 | NA | NA | 7.50 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int) | libgromacs_mpi.so.7.0.0 | NA | 0.04 | NA | NA | 0.12 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| mkl_dft_avx512_transfer_ipp_mkl_error | libmkl_avx512.so.2 | NA | 0.02 | 0.02 | NA | 0.04 | 0.05 | NA | 1 | 1 | NA | 48.00 | 41.60 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 |
| gmx_fft_many_1d(gmx_fft*, gmx_fft_direction, void*, void*) | libgromacs_mpi.so.7 | NA | NA | 0.04 | NA | NA | 0.11 | NA | NA | 1 | NA | NA | 18.91 | NA | NA | 0.00 | NA | NA | 0.00 |
| Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>) [clone .isra.0] | libgromacs_mpi.so.7 | 0.04 | NA | NA | 0.1 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| gmx_fft_1d(gmx_fft*, gmx_fft_direction, void*, void*) | libgromacs_mpi.so.7.0.0 | NA | 0.04 | NA | NA | 0.12 | NA | NA | 1 | NA | NA | 72.67 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| gmx_fft_1d(gmx_fft*, gmx_fft_direction, void*, void*) | libgromacs_mpi.so.7 | NA | NA | 0.04 | NA | NA | 0.13 | NA | NA | 1 | NA | NA | 45.54 | NA | NA | 0.00 | NA | NA | 0.00 |
| std::vector<int, std::allocator<int> >::_M_default_append(unsigned long) | libgromacs_mpi.so.7 | 0.02 | NA | 0.02 | 0.04 | NA | 0.05 | 1 | NA | 1 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*) [clone ._omp_fn.0] | libgromacs_mpi.so.7 | 0.04 | NA | NA | 0.1 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| gmx::dd_partition_system(_IO_FILE*, gmx::MDLogger const&, long, t_commrec const*, bool, int, t_state*, gmx_mtop_t const&, t_inputrec const&, gmx::ImdSession*, pull_t*, t_state*, gmx::ForceBuffers*, gmx::MDAtoms*, gmx_localtop_t*, t_forcerec*, g... | libgromacs_mpi.so.7 | 0.01 | NA | 0.03 | 0.03 | NA | 0.1 | 1 | NA | 1 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| Nbnxm::Grid::fillCell(Nbnxm::GridSetData*, nbnxn_atomdata_t*, int, int, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, Nbnxm::BoundingBox*) | libgromacs_mpi.so.7 | 0.02 | NA | 0.01 | 0.06 | NA | 0.02 | 1 | NA | 1 | 0.17 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| globalAtomIndexToMoltypeIndices(gmx::ArrayRef<MolblockIndices const>, int) | libgromacs_mpi.so.7 | 0.01 | NA | 0.02 | 0.03 | NA | 0.05 | 1 | NA | 1 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | 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) [clone .isra.0] | libgromacs_mpi.so.7 | 0.03 | NA | NA | 0.08 | NA | NA | 1 | NA | NA | 1.13 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| exp | libm.so.6 | 0.03 | NA | NA | 0.07 | NA | NA | 1 | NA | NA | 1.29 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| unwrap_periodic_pmegrid(gmx_pme_t*, float*) | libgromacs_mpi.so.7 | 0.02 | NA | 0.01 | 0.04 | NA | 0.02 | 1 | NA | 1 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| void get_cell_range<1>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*) | libgromacs_mpi.so.7 | 0.03 | NA | NA | 0.08 | NA | NA | 1 | NA | NA | 0.75 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNALc075c6e4::(anonymous namespace)::rbdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc co... | libgromacs_mpi.so.7.0.0 | NA | 0.03 | NA | NA | 0.07 | NA | NA | 1 | NA | NA | 2.29 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| void _INTERNAL4f3e572d::gmx::settleTemplate<_INTERNAL4f3e572d::gmx::SimdFloat, _INTERNAL4f3e572d::gmx::SimdFBool, 16, float const*, true, true>(_INTERNAL4f3e572d::gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*... | libgromacs_mpi.so.7.0.0 | NA | 0.03 | NA | NA | 0.09 | NA | NA | 1 | NA | NA | 39.11 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| void _INTERNALb293ce76::get_cell_range<1>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*) | libgromacs_mpi.so.7.0.0 | NA | 0.03 | NA | NA | 0.09 | NA | NA | 1 | NA | NA | 0.44 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNAL051658ea::atoms_to_settles(gmx_domdec_t*, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::ArrayRef<std::vector<int, std::allocator<int> > const>, int, int, InteractionList*, std::vector<int, std::allocator<int&... | libgromacs_mpi.so.7.0.0 | NA | 0.03 | NA | NA | 0.1 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*) | libgromacs_mpi.so.7.0.0 | NA | 0.03 | NA | NA | 0.09 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNAL051658ea::atoms_to_constraints(gmx_domdec_t*, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::ListOfLists<int> const>, int, InteractionList*, std::vector<int, std::allocator<int> >*) | libgromacs_mpi.so.7.0.0 | NA | 0.03 | NA | NA | 0.07 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| calc_vir(int, float const (*) [3], float const (*) [3], float (*) [3], bool, float const (*) [3]) | libgromacs_mpi.so.7.0.0 | NA | 0.03 | NA | NA | 0.09 | NA | NA | 1 | NA | NA | 5.33 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| copy_pmegrid_to_fftgrid(gmx_pme_t const*, float const*, float*, int) | libgromacs_mpi.so.7.0.0 | NA | 0.03 | NA | NA | 0.08 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNAL80d859f8::atomInMolblockFromGlobalAtomnr(gmx::ArrayRef<MolblockIndices const>, int) | libgromacs_mpi.so.7.0.0 | NA | 0.03 | NA | NA | 0.09 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| void _INTERNALb293ce76::get_cell_range<0>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*) | libgromacs_mpi.so.7.0.0 | NA | 0.03 | NA | NA | 0.08 | NA | NA | 1 | NA | NA | 0.63 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| float _INTERNALc075c6e4::(anonymous namespace)::idihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*, gmx::ArrayRef<float const>, t_fcdata*, t_disresdata*... | libgromacs_mpi.so.7.0.0 | NA | 0.03 | NA | NA | 0.08 | NA | NA | 1 | NA | NA | 2.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNALc075c6e4::(anonymous namespace)::rbdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3]... | libgromacs_mpi.so.7.0.0 | NA | 0.03 | NA | NA | 0.09 | NA | NA | 1 | NA | NA | 2.67 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| mkl_serv_verbose_mode@plt | libmkl_intel_lp64.so.2 | NA | 0.01 | 0.02 | NA | 0.04 | 0.05 | NA | 1 | 1 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 |
| gmx_fft_1d_real(gmx_fft*, gmx_fft_direction, void*, void*) | libgromacs_mpi.so.7 | NA | NA | 0.03 | NA | NA | 0.09 | NA | NA | 1 | NA | NA | 16.00 | NA | NA | 0.00 | NA | 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_mpi.so.7 | NA | NA | 0.03 | NA | NA | 0.08 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
| 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_mpi.so.7 | NA | NA | 0.03 | NA | NA | 0.08 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
| __libm_expf_l9 | gmx_mpi | NA | NA | 0.03 | NA | NA | 0.09 | NA | NA | 1 | NA | NA | 1.33 | NA | NA | 0.00 | NA | 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_mpi.so.7 | NA | NA | 0.03 | NA | NA | 0.1 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
| Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>) | libgromacs_mpi.so.7 | NA | NA | 0.03 | NA | NA | 0.1 | NA | NA | 1 | NA | NA | 0.30 | NA | NA | 0.00 | NA | 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_mpi.so.7 | 0.01 | NA | 0.01 | 0.01 | NA | 0.02 | 1 | NA | 1 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 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_mpi.so.7 | 0.01 | NA | 0.01 | 0.02 | NA | 0.02 | 1 | NA | 1 | 1.00 | NA | 0.50 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| getVerletBufferAtomtypes(gmx_mtop_t const&, bool, bool) | libgromacs_mpi.so.7 | 0.01 | NA | 0.01 | 0.01 | NA | 0.02 | 1 | NA | 1 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| gmx_fft_many_1d_real(gmx_fft*, gmx_fft_direction, void*, void*) | libgromacs_mpi.so.7.0.0 | NA | 0.02 | NA | NA | 0.06 | NA | NA | 1 | NA | NA | 26.67 | NA | NA | 0.00 | NA | 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_mpi.so.7.0.0 | NA | 0.02 | NA | NA | 0.06 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| dd_redistribute_cg(_IO_FILE*, long, gmx_domdec_t*, int*, t_state*, t_forcerec*, t_nrnb*, int*) | libgromacs_mpi.so.7 | 0.01 | NA | 0.01 | 0.01 | NA | 0.03 | 1 | NA | 1 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 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>) | libgromacs_mpi.so.7 | 0.01 | NA | 0.01 | 0.01 | NA | 0.02 | 1 | NA | 1 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | 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_mpi.so.7 | NA | NA | 0.02 | NA | NA | 0.08 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
| gmx_fft_many_1d_real(gmx_fft*, gmx_fft_direction, void*, void*) | libgromacs_mpi.so.7 | NA | NA | 0.02 | NA | NA | 0.06 | NA | NA | 1 | NA | NA | 29.33 | NA | NA | 0.00 | NA | NA | 0.00 |
| gmx::set_lincs_matrix(gmx::Lincs*, gmx::ArrayRef<float const>, float) [clone .extracted] | libgromacs_mpi.so.7 | NA | NA | 0.02 | NA | NA | 0.05 | NA | NA | 1 | NA | NA | 0.20 | NA | NA | 0.00 | NA | NA | 0.00 |
| sum_forces(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> const>) [clone ._omp_fn.0] | libgromacs_mpi.so.7 | 0.02 | NA | NA | 0.07 | NA | NA | 1 | NA | NA | 2.14 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&) [clone .extracted] | libgromacs_mpi.so.7 | NA | NA | 0.02 | NA | NA | 0.07 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
| atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*) [clone .extracted] | libgromacs_mpi.so.7 | NA | NA | 0.02 | NA | NA | 0.08 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
| calc_vir(int, float const (*) [3], float const (*) [3], float (*) [3], bool, float const (*) [3]) | libgromacs_mpi.so.7 | NA | NA | 0.02 | NA | NA | 0.07 | NA | NA | 1 | NA | NA | 10.71 | NA | NA | 0.00 | NA | NA | 0.00 |
| setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&) | libgromacs_mpi.so.7.0.0 | NA | 0.02 | NA | NA | 0.06 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| 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_mpi.so.7 | 0.01 | NA | 0.01 | 0.02 | NA | 0.02 | 1 | NA | 1 | 1.00 | NA | 0.50 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| _INTERNALc6865387::postProcessForces(t_commrec const*, long, t_nrnb*, gmx_wallcycle*, float const (*) [3], gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ForceOutputs*, float (*) [3], t_mdatoms const*, t_forcerec const*, gmx::VirtualSitesHa... | libgromacs_mpi.so.7.0.0 | NA | 0.02 | NA | NA | 0.05 | NA | NA | 1 | NA | NA | 3.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| __default_morecore | libc.so.6 | 0.02 | NA | NA | 0.04 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| void _INTERNAL83cfe191::orderVector<gmx::BasicVector<float> >(gmx::ArrayRef<gmx_cgsort const>, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >) | libgromacs_mpi.so.7.0.0 | NA | 0.02 | NA | NA | 0.05 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| globalAtomIndexToMoltypeIndices(gmx::ArrayRef<MolblockIndices const>, int) | libgromacs_mpi.so.7.0.0 | NA | 0.02 | NA | NA | 0.05 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| void get_cell_range<0>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*) | libgromacs_mpi.so.7 | 0.02 | NA | NA | 0.05 | NA | NA | 1 | NA | NA | 2.40 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| _INTERNAL1bba7552::gmx::set_lincs_matrix_task(_INTERNAL1bba7552::gmx::Lincs*, _INTERNAL1bba7552::gmx::Task*, _INTERNAL1bba7552::gmx::ArrayRef<float const>, int*, int*) | libgromacs_mpi.so.7.0.0 | NA | 0.02 | NA | NA | 0.05 | NA | NA | 1 | NA | NA | 0.40 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNAL5ce61142::Nbnxm::sort_cluster_on_flag(int, int, int, gmx::ArrayRef<long const>, gmx::ArrayRef<int>, int*) | libgromacs_mpi.so.7.0.0 | NA | 0.02 | NA | NA | 0.04 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNAL3b86f157::calc_cg_move(_IO_FILE*, long, gmx_domdec_t*, t_state*, int const*, float (*) [3], float const*, float const*, MoveLimits const&, int, int, gmx::ArrayRef<int>) | libgromacs_mpi.so.7.0.0 | NA | 0.02 | NA | NA | 0.04 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| Nbnxm::Grid::fillCell(Nbnxm::GridSetData*, nbnxn_atomdata_t*, int, int, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, Nbnxm::BoundingBox*) | libgromacs_mpi.so.7.0.0 | NA | 0.02 | NA | NA | 0.04 | NA | NA | 1 | NA | NA | 12.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| atomInMolblockFromGlobalAtomnr(gmx::ArrayRef<MolblockIndices const>, int) | libgromacs_mpi.so.7 | 0.02 | NA | NA | 0.06 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| void orderVector<gmx::BasicVector<float> >(gmx::ArrayRef<gmx_cgsort const>, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >) [clone .isra.0] | libgromacs_mpi.so.7 | 0.02 | NA | NA | 0.05 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | 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_mpi.so.7 | 0.02 | NA | NA | 0.06 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&) [clone ._omp_fn.0] | libgromacs_mpi.so.7 | 0.02 | NA | NA | 0.05 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| dd_redistribute_cg(_IO_FILE*, long, gmx_domdec_t*, int*, t_state*, t_forcerec*, t_nrnb*, int*) [clone ._omp_fn.0] | libgromacs_mpi.so.7 | 0.02 | NA | NA | 0.05 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| atan2f | libm.so.6 | 0.02 | NA | NA | 0.06 | NA | NA | 1 | NA | NA | 5.83 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| mk_mshift(_IO_FILE*, t_graph*, PbcType, float const (*) [3], float const (*) [3]) | libgromacs_mpi.so.7 | 0.01 | NA | 0.01 | 0.02 | NA | 0.03 | 1 | NA | 1 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| void std::allocator_traits<gmx::Allocator<float, gmx::AlignedAllocationPolicy> >::_S_destroy<gmx::Allocator<float, gmx::AlignedAllocationPolicy>, float>(gmx::Allocator<float, gmx::AlignedAllocationPolicy>&, float*, ...) | libgromacs_mpi.so.7.0.0 | NA | 0.01 | NA | NA | 0.02 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| gmx::InMemoryDeserializer::doRvec(float (*) [3]) | libgromacs_mpi.so.7.0.0 | NA | 0.01 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| std::vector<int, std::allocator<int> >::_M_default_append(unsigned long) | libgromacs_mpi.so.7.0.0 | NA | 0.01 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| atan2f | libgromacs_mpi.so.7.0.0 | NA | 0.01 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 8.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| 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_mpi.so.7.0.0 | NA | 0.01 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | 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_mpi.so.7.0.0 | NA | 0.01 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| fftwf_isqrt | libfftw3f.so.3.6.10 | 0.01 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| dd_check_ftype(int, ReverseTopOptions const&) | libgromacs_mpi.so.7.0.0 | NA | 0.01 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNAL83cfe191::make_dd_indices(gmx_domdec_t*, int) | libgromacs_mpi.so.7.0.0 | NA | 0.01 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| 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_mpi.so.7.0.0 | NA | 0.01 | NA | NA | 0.02 | NA | NA | 1 | NA | NA | 0.50 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| int& std::vector<int, std::allocator<int> >::emplace_back<int>(int&&) [clone .isra.0] | libgromacs_mpi.so.7 | 0.01 | NA | NA | 0.02 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| float _INTERNALc075c6e4::(anonymous namespace)::idihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*, gmx::ArrayRef<float const>, t_fcdata*, t_disresdata*... | libgromacs_mpi.so.7.0.0 | NA | 0.01 | NA | NA | 0.02 | NA | NA | 1 | NA | NA | 0.50 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| erfcf | libgromacs_mpi.so.7.0.0 | NA | 0.01 | NA | NA | 0.02 | NA | NA | 1 | NA | NA | 0.50 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| L__Z31nbnxn_atomdata_copy_x_to_nbat_xRKN5Nbnxm7GridSetEN3gmx12AtomLocalityEPA3_KfP16nbnxn_atomdata_t_993__par_region0_2_45 | libgromacs_mpi.so.7.0.0 | NA | 0.01 | NA | NA | 0.03 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies() | libgromacs_mpi.so.7.0.0 | NA | 0.01 | NA | NA | 0.04 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| constrained_atom_sigma2(float, atom_nonbonded_kinetic_prop_t const*, float*, float*) | libgromacs_mpi.so.7.0.0 | NA | 0.01 | NA | NA | 0.02 | NA | NA | 1 | NA | NA | 0.50 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| low_set_pbc(t_pbc*, PbcType, int const*, float const (*) [3]) | libgromacs_mpi.so.7 | 0.01 | NA | 0 | 0.02 | NA | 0 | 1 | NA | 1 | 0.50 | NA | NA | 0.00 | NA | 0.00 | 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*) | libgromacs_mpi.so.7.0.0 | NA | 0.01 | NA | NA | 0.02 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| mkl_dft_avx512_transfer_ipp_mkl_error@plt | libmkl_avx512.so.2 | NA | 0.01 | 0 | NA | 0.01 | 0.01 | NA | 1 | 1 | NA | 32.00 | 112.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 |
| __libm_exp_k32 | libgromacs_mpi.so.7.0.0 | NA | 0.01 | NA | NA | 0.02 | NA | NA | 1 | NA | NA | 1.50 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| int _INTERNAL80d859f8::make_bondeds_zone<true>(gmx_reverse_top_t const&, gmx::ArrayRef<int const>, gmx_ga2la_t const&, gmx_domdec_zones_t const&, std::vector<gmx_molblock_t, std::allocator<gmx_molblock_t> > const&, b... | libgromacs_mpi.so.7.0.0 | NA | 0.01 | NA | NA | 0.02 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| __intel_avx_memmove | gmx_mpi | NA | 0.01 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| 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_mpi.so.7 | NA | NA | 0.01 | NA | NA | 0.04 | NA | NA | 1 | NA | NA | 2.50 | NA | NA | 0.00 | NA | NA | 0.00 |
| _INTERNALd0075a52::mk_grey(gmx::ArrayRef<egCol>, t_graph*, int*, int, float const (*) [3], float const (*) [3], int*) | libgromacs_mpi.so.7.0.0 | NA | 0.01 | NA | NA | 0.03 | NA | NA | 1 | NA | NA | 0.33 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| make_dd_indices(gmx_domdec_t*, int) | libgromacs_mpi.so.7 | 0.01 | NA | 0 | 0.01 | NA | 0.01 | 1 | NA | 1 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone ._omp_fn.0] | libgromacs_mpi.so.7 | 0.01 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| __kmpc_end_serialized_parallel | libiomp5.so | 0.01 | 0 | 0 | 0.01 | 0.01 | 0 | 1 | 1 | 1 | 0.00 | 0.00 | NA | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
| fftwf_codelet_n1fv_64_sse2 | libfftw3f.so.3.6.10 | 0.01 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| fftwf_ifree0 | libfftw3f.so.3.6.10 | 0.01 | NA | NA | 0.03 | NA | NA | 1 | NA | NA | 10.67 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone .extracted.30] | libgromacs_mpi.so.7 | NA | NA | 0.01 | NA | NA | 0.04 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
| fftwf_codelet_t2_32 | libfftw3f.so.3.6.10 | 0.01 | NA | NA | 0.02 | NA | NA | 1 | NA | NA | 21.50 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| 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_mpi.so.7 | 0.01 | NA | NA | 0.02 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| calcBondedForces(InteractionDefinitions const&, bonded_threading_t*, float const (*) [3], t_forcerec const*, t_pbc const*, float (*) [3], gmx_enerdata_t*, t_nrnb*, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, t_mdatoms const*, t_fcdata... | libgromacs_mpi.so.7 | 0.01 | NA | NA | 0.02 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| 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> >*) [clone .isra.0] | libgromacs_mpi.so.7 | 0.01 | NA | NA | 0.02 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | 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_mpi.so.7 | 0.01 | NA | 0 | 0.02 | NA | 0 | 1 | NA | 1 | 0.00 | NA | NA | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef<float const>, float, bool, t_commrec const*, gmx::Lincs*) | libgromacs_mpi.so.7 | 0.01 | NA | 0 | 0.02 | NA | 0.01 | 1 | NA | 1 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| std::vector<nbnxn_cj_t, std::allocator<nbnxn_cj_t> >::_M_default_append(unsigned long) | libgromacs_mpi.so.7 | 0.01 | NA | NA | 0.03 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| _INTERNAL1bba7552::gmx::set_matrix_indices(_INTERNAL1bba7552::gmx::Lincs*, _INTERNAL1bba7552::gmx::Task const&, _INTERNAL1bba7552::gmx::ListOfLists<int> const&, bool) | libgromacs_mpi.so.7.0.0 | NA | 0.01 | NA | NA | 0.04 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| sum_forces(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> const>) [clone .extracted] | libgromacs_mpi.so.7 | NA | NA | 0.01 | NA | NA | 0.04 | NA | NA | 1 | NA | NA | 4.00 | NA | NA | 0.00 | NA | NA | 0.00 |
| gmx::InMemoryDeserializer::doReal(float*) | libgromacs_mpi.so.7 | 0 | NA | 0.01 | 0.01 | NA | 0.02 | 1 | NA | 1 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| 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_mpi.so.7 | 0 | NA | 0.01 | 0.01 | NA | 0.04 | 1 | NA | 1 | 2.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| fftwf_mkproblem_dft_d | libfftw3f.so.3.6.10 | 0.01 | NA | NA | 0.02 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| _IO_fwrite | libc.so.6 | 0.01 | 0 | 0 | 0.02 | 0 | 0.01 | 1 | 1 | 1 | 0.00 | NA | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
| 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_mpi.so.7 | NA | NA | 0.01 | NA | NA | 0.04 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | 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*) | libgromacs_mpi.so.7 | 0 | NA | 0.01 | 0.01 | NA | 0.02 | 1 | NA | 1 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| atan2f | gmx_mpi | NA | NA | 0.01 | NA | NA | 0.02 | NA | NA | 1 | NA | NA | 2.00 | NA | NA | 0.00 | NA | NA | 0.00 |
| dd_redistribute_cg(_IO_FILE*, long, gmx_domdec_t*, int*, t_state*, t_forcerec*, t_nrnb*, int*) [clone .extracted] | libgromacs_mpi.so.7 | NA | NA | 0.01 | NA | NA | 0.04 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
| gmx::set_lincs_matrix(gmx::Lincs*, gmx::ArrayRef<float const>, float) [clone ._omp_fn.0] | libgromacs_mpi.so.7 | 0.01 | NA | NA | 0.03 | NA | NA | 1 | NA | NA | 0.33 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| calc_vcm_grp(t_mdatoms const&, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> const>, t_vcm*) [clone .extracted] | libgromacs_mpi.so.7 | NA | NA | 0.01 | NA | NA | 0.03 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
| gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef<float const>, float, bool, t_commrec const*, gmx::Lincs*) [clone .extracted] | libgromacs_mpi.so.7 | NA | NA | 0.01 | NA | NA | 0.02 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
| sfftw_plan_guru_r2r_ | libfftw3f.so.3.6.10 | 0.01 | NA | NA | 0.03 | NA | NA | 1 | NA | NA | 4.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| gmx::InMemoryDeserializer::doUChar(unsigned char*) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| gmx::InMemoryDeserializer::doInt(int*) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| adler32 | libmpi.so.12.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| gmx::InMemoryDeserializer::sourceIsDouble() const | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| gmx::InMemoryDeserializer::doFloat(float*) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| __libc_malloc | libc.so.6 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNALd01bd45b::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_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| __kmpc_for_static_fini | libiomp5.so | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNALd01bd45b::distributeVecSendrecv(gmx_domdec_t*, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> >) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| dd_cycles_add(gmx_domdec_t const*, float, int) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| rxm_recv_queue_init | librxm-fi.so | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| __kmp_join_call | libiomp5.so | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNALcf2d177d::dd_collect_vec_sendrecv(gmx_domdec_t*, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> >) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| __kmp_serialized_parallel | libiomp5.so | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| dd_clear_local_constraint_indices(gmx_domdec_t*) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| void _INTERNAL83cfe191::orderVector<long>(gmx::ArrayRef<gmx_cgsort const>, gmx::ArrayRef<long>, gmx::ArrayRef<long>) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| gmx_reverse_top_t::hasPositionRestraints() const | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| dd_move_x_specat(gmx_domdec_t const*, gmx_domdec_specat_comm_t*, float const (*) [3], float (*) [3], float (*) [3], bool) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNAL3b86f157::copyMovedUpdateGroupCogs(gmx::ArrayRef<int const>, int, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx_domdec_comm_t*) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| dd_redistribute_cg(_IO_FILE*, long, gmx_domdec_t*, int*, t_state*, t_forcerec*, t_nrnb*, int*) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| __kmpc_barrier | libiomp5.so | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNALb293ce76::addNewIEntry(NbnxnPairlistCpu*, int, int, int) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| clear_fshift(float*) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| nbnxn_atomdata_copy_shiftvec(bool, gmx::ArrayRef<gmx::BasicVector<float> >, nbnxn_atomdata_t*) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| nbnxn_atomdata_copy_x_to_nbat_x(Nbnxm::GridSet const&, gmx::AtomLocality, float const (*) [3], nbnxn_atomdata_t*) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNALa817b2b7::nbnxn_atomdata_set_charges(nbnxn_atomdata_t*, Nbnxm::GridSet const&, gmx::ArrayRef<float const>) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNALa817b2b7::nbnxn_atomdata_set_atomtypes(nbnxn_atomdata_t::Params*, Nbnxm::GridSet const&, gmx::ArrayRef<int const>) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | 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_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| void std::allocator_traits<gmx::Allocator<gmx::BasicVector<float>, gmx::HostAllocationPolicy> >::_S_destroy<gmx::Allocator<gmx::BasicVector<float>, gmx::HostAllocationPolicy>, gmx::BasicVector<float> >(gmx::Allocat... | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| L__ZN5Nbnxm4Grid14setCellIndicesEiiPNS_11GridSetDataEN3gmx8ArrayRefINS_8GridWorkEEENS3_5RangeIiEENS4_IKlEENS4_IKNS3_11BasicVectorIfEEEEiP16nbnxn_atomdata_t_1481__par_region0_2_72 | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| Nbnxm::GridSet::setLocalAtomOrder() | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| void std::allocator_traits<gmx::Allocator<Nbnxm::BoundingBox, gmx::AlignedAllocationPolicy> >::_S_destroy<gmx::Allocator<Nbnxm::BoundingBox, gmx::AlignedAllocationPolicy>, Nbnxm::BoundingBox>(gmx::Allocator<Nbnxm::BoundingBox, gm... | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNAL5ce61142::Nbnxm::combine_bounding_box_pairs(_INTERNAL5ce61142::Nbnxm::Grid const&, gmx::ArrayRef<_INTERNAL5ce61142::Nbnxm::BoundingBox const>, gmx::ArrayRef<_INTERNAL5ce61142::Nbnxm::BoundingBox>) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| 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_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _dl_rtld_di_serinfo | ld-linux-x86-64.so.2 | NA | 0 | 0 | NA | 0 | 0.01 | NA | 1 | 1 | NA | NA | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 |
| dd_collect_vec(gmx_domdec_t*, int, int, gmx::ArrayRef<int const>, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> >) | libgromacs_mpi.so.7 | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
| gmx::InMemoryDeserializer::doInt(int*) | libgromacs_mpi.so.7 | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
| calcBondedForces(InteractionDefinitions const&, bonded_threading_t*, float const (*) [3], t_forcerec const*, t_pbc const*, float (*) [3], gmx_enerdata_t*, t_nrnb*, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, t_mdatoms const*, t_fcdata... | libgromacs_mpi.so.7 | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
| expf | gmx_mpi | NA | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 2.00 | NA | NA | 0.00 | NA | NA | 0.00 |
| __intel_rtdd_indep | gmx_mpi | NA | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
| 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_mpi.so.7 | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
| gmx::SettleData::setConstraints(InteractionList const&, int, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>) | libgromacs_mpi.so.7 | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
| 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_mpi.so.7 | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
| add_ebin_indexed(t_ebin*, int, gmx::ArrayRef<bool>, gmx::ArrayRef<float const>, bool) | libgromacs_mpi.so.7 | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | 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_mpi.so.7 | NA | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
| erfcf | gmx_mpi | NA | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 5.00 | NA | NA | 0.00 | NA | NA | 0.00 |
| gmx::ListOfLists<int>::pushBack(gmx::ArrayRef<int const>) | libgromacs_mpi.so.7 | NA | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
| gmx::ThreadedForceBuffer<float [4]>::setupReduction() | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| gmx_parallel_3dfft_real_limits(gmx_parallel_3dfft*, int*, int*, int*) | libgromacs_mpi.so.7 | NA | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
| nbnxn_atomdata_copy_x_to_nbat_x(Nbnxm::GridSet const&, gmx::AtomLocality, float const (*) [3], nbnxn_atomdata_t*) [clone .extracted] | libgromacs_mpi.so.7 | NA | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
| __libm_exp_k32 | gmx_mpi | NA | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 3.00 | NA | NA | 0.00 | NA | NA | 0.00 |
| _intel_fast_memcpy | gmx_mpi | NA | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
| gmx::InMemorySerializer::doInt(int*) | libgromacs_mpi.so.7 | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
| update_pcouple_before_coordinates(_IO_FILE*, long, t_inputrec const*, t_state*, float (*) [3], float (*) [3], bool) | libgromacs_mpi.so.7 | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
| AtomProxy::residueName() const | libgromacs_mpi.so.7 | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
| btowc | libc.so.6 | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
| reduceForces(nbnxn_atomdata_t*, gmx::AtomLocality, Nbnxm::GridSet const&, float (*) [3]) | libgromacs_mpi.so.7 | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
| clearForceBuffer(nbnxn_atomdata_t*, int) | libgromacs_mpi.so.7 | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
| __pthread_getspecific | libc.so.6 | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
| gmx::InMemoryDeserializer::doFloat(float*) | libgromacs_mpi.so.7 | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
| gmx::InMemoryDeserializer::doRvec(float (*) [3]) | libgromacs_mpi.so.7 | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
| MPIDIG_am_comm_abort_init | libmpi.so.12.0.0 | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
| std::_Rb_tree<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::pair<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const, std::unique_ptr<gmx... | libgromacs_mpi.so.7 | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
| dd_clear_local_constraint_indices(gmx_domdec_t*) | libgromacs_mpi.so.7 | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
| shift_x(t_graph const*, float const (*) [3], float const (*) [3], float (*) [3]) | libgromacs_mpi.so.7 | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
| _strnlen_s_chk | libiomp5.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | 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_mpi.so.7 | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
| dd_make_reverse_top(_IO_FILE*, gmx_domdec_t*, gmx_mtop_t const&, gmx::VirtualSitesHandler const*, t_inputrec const&, gmx::DDBondedChecking) | libgromacs_mpi.so.7 | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | 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_mpi.so.7 | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
| gmx_reverse_top_t::molblockIndices() const | libgromacs_mpi.so.7 | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
| _INTERNALd0075a52::determine_graph_parts(EdgesGenerator const&, gmx::ArrayRef<int>) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| gmx::set_lincs_matrix(gmx::Lincs*, gmx::ArrayRef<float const>, float) | libgromacs_mpi.so.7 | 0 | NA | 0 | 0.01 | NA | 0.01 | 1 | NA | 1 | 1.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| inflate_fast | libmpi.so.12.0.0 | NA | 0 | 0 | NA | 0 | 0.01 | NA | 1 | 1 | NA | NA | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 |
| distributeVec(gmx_domdec_t*, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> >) | libgromacs_mpi.so.7 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| dd_move_x_constraints(gmx_domdec_t*, float const (*) [3], gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >, bool) | libgromacs_mpi.so.7 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | 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_mpi.so.7 | 0 | NA | 0 | 0 | NA | 0.01 | 1 | NA | 1 | NA | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| nonbonded_verlet_t::dispatchNonbondedKernel(gmx::InteractionLocality, interaction_const_t const&, gmx::StepWorkload const&, int, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, t_nrn... | libgromacs_mpi.so.7 | 0 | NA | 0 | 0 | NA | 0 | 1 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| next_ci(Nbnxm::Grid const&, int, int, int*, int*, int*, int*) | libgromacs_mpi.so.7 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| 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_mpi.so.7 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| dd_make_local_top(gmx_domdec_t const&, gmx_domdec_zones_t const&, int, float (*) [3], float*, int const*, t_forcerec*, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx_localtop_... | libgromacs_mpi.so.7 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| nral_rt(int) | libgromacs_mpi.so.7 | 0 | NA | 0 | 0 | NA | 0.01 | 1 | NA | 1 | NA | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| gmx_reverse_top_t::hasIntermolecularInteractions() const | libgromacs_mpi.so.7 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| copyMovedAtomsToBufferPerAtom(gmx::ArrayRef<int const>, int, int, float (*) [3], gmx_domdec_comm_t*) | libgromacs_mpi.so.7 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| gmx_reverse_top_t::interactionListForMoleculeType(int) const | libgromacs_mpi.so.7 | 0 | NA | 0 | 0 | NA | 0 | 1 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| dd_check_ftype(int, ReverseTopOptions const&) | libgromacs_mpi.so.7 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| gmx_reverse_top_t::hasPositionRestraints() const | libgromacs_mpi.so.7 | 0 | NA | 0 | 0 | NA | 0.01 | 1 | NA | 1 | NA | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| nbnxn_atomdata_t::resizeForceBuffers() | libgromacs_mpi.so.7 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| getutmp | libc.so.6 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| fftwf_mkproblem_rdft_1 | libfftw3f.so.3.6.10 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| __libc_alloca_cutoff | libc.so.6 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| fftwf_rdft2_rank0_register | libfftw3f.so.3.6.10 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| fftwf_dft_zerotens | libfftw3f.so.3.6.10 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| fftwf_dft_r2hc_register | libfftw3f.so.3.6.10 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| nbnxn_atomdata_copy_x_to_nbat_x(Nbnxm::GridSet const&, gmx::AtomLocality, float const (*) [3], nbnxn_atomdata_t*) [clone ._omp_fn.0] | libgromacs_mpi.so.7 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| fftwf_codelet_t2fv_32_sse2 | libfftw3f.so.3.6.10 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| __kmp_barrier | libiomp5.so | 0 | 0 | NA | 0 | 0.01 | NA | 1 | 1 | NA | NA | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
| __kmp_get_global_thread_id_reg | libiomp5.so | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| fftwf_codelet_n1fv_64_avx | libfftw3f.so.3.6.10 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| __kmp_GOMP_fork_call | libiomp5.so | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| __kmp_api_omp_get_num_threads | libiomp5.so | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| fftwf_elapsed_since | libfftw3f.so.3.6.10 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| shift_self(t_graph const&, float const (*) [3], float (*) [3]) | libgromacs_mpi.so.7 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | 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_mpi.so.7 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| fftwf_measure_execution_time | libfftw3f.so.3.6.10 | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| fftwf_kdft_dif_register | libfftw3f.so.3.6.10 | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| fftwf_choose_radix | libfftw3f.so.3.6.10 | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| gmx::LegacySimulator::do_md() | libgromacs_mpi.so.7 | 0 | NA | 0 | 0 | NA | 0.01 | 1 | NA | 1 | NA | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| fftwf_md5putc | libfftw3f.so.3.6.10 | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| make_dp_periodic(float*) | libgromacs_mpi.so.7 | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 1.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| __strtof128_nan | libc.so.6 | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| 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) [clone .isra.0] | libgromacs_mpi.so.7 | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| constrained_atom_sigma2(float, atom_nonbonded_kinetic_prop_t const*, float*, float*) | libgromacs_mpi.so.7 | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 3.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| __kmp_get_global_thread_id | libiomp5.so | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| getGroupType(SimulationGroups const&, SimulationAtomGroupType, int) | libgromacs_mpi.so.7 | 0 | NA | 0 | 0.01 | NA | 0.01 | 1 | NA | 1 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| clearDDStateIndices(gmx_domdec_t*, bool) | libgromacs_mpi.so.7 | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| AtomProxy::residueNumber() const | libgromacs_mpi.so.7 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| pme_run_mode(gmx_pme_t const*) | libgromacs_mpi.so.7 | 0 | NA | 0 | 0 | NA | 0 | 1 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | 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_mpi.so.7 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | 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_mpi.so.7 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| gmx::makeLincsDeviations(gmx::Lincs const&, gmx::ArrayRef<gmx::BasicVector<float> const>, t_pbc const*) [clone .isra.0] | libgromacs_mpi.so.7 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| 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_mpi.so.7 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | 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_mpi.so.7 | 0 | NA | 0 | 0 | NA | 0.01 | 1 | NA | 1 | NA | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
| gmx::makeAtomsToConstraintsList(int, gmx::ArrayRef<InteractionList const>, gmx::ArrayRef<t_iparams const>, gmx::FlexibleConstraintTreatment) [clone .isra.0] | libgromacs_mpi.so.7 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| ListedForces::haveRestraints(t_fcdata const&) const | libgromacs_mpi.so.7 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef<float const>, float, bool, t_commrec const*, gmx::Lincs*) [clone ._omp_fn.0] | libgromacs_mpi.so.7 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| init_mdoutf(_IO_FILE*, int, t_filenm const*, gmx::MdrunOptions const&, t_commrec const*, gmx::IMDOutputProvider*, gmx::MDModulesNotifiers const&, t_inputrec const*, gmx_mtop_t const&, gmx_output_env_t const*, gmx_wallcycle*, gmx::StartingBehavi... | libgromacs_mpi.so.7 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| nrnbIndex(int) | libgromacs_mpi.so.7 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| 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_mpi.so.7 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| 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_mpi.so.7 | 0 | NA | 0 | 0 | NA | 0 | 1 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | 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 ._omp_fn.0] | libgromacs_mpi.so.7 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| gmx_gettime() | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| fftwf_compute_tilesz | libfftw3f.so.3.6.10 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| fftwf_malloc_plain | libfftw3f.so.3.6.10 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| xdr_vector(XDR*, char*, unsigned int, unsigned int, int (*)(XDR*, void*, ...)) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| SplineCoefficients::realloc(int) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNAL01945b58::(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_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNAL01945b58::calcBondedForces(InteractionDefinitions const&, bonded_threading_t*, float const (*) [3], t_forcerec const*, t_pbc const*, float (*) [3], gmx_enerdata_t*, t_nrnb*, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, t_mdato... | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| ListedForces::haveRestraints(t_fcdata const&) const | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| write_hconf_mtop(_IO_FILE*, char const*, gmx_mtop_t const&, float const (*) [3], float const (*) [3], float const (*) [3]) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _IO_file_xsputn | libc.so.6 | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNALb293ce76::set_icell_bb_simple(gmx::ArrayRef<Nbnxm::BoundingBox const>, int, float, float, float, Nbnxm::BoundingBox*) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNAL932390f6::do_atoms(gmx::ISerializer*, t_atoms*, t_symtab*, int) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| void std::allocator_traits<gmx::Allocator<float, gmx::HostAllocationPolicy> >::_S_destroy<gmx::Allocator<float, gmx::HostAllocationPolicy>, float>(gmx::Allocator<float, gmx::HostAllocationPolicy>&, float*, ...) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNALa817b2b7::nbnxn_atomdata_set_ljcombparams(nbnxn_atomdata_t::Params*, int, Nbnxm::GridSet const&) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNALb293ce76::icell_set_x_simd_2xnn(int, float, float, float, int, float const*, NbnxnPairlistCpuWork*) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| make_dp_periodic(float*) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| gmx::Update::Impl::update_coords(t_inputrec const&, long, int, bool, gmx::ArrayRef<ParticleType const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const [3]>, t_state*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> co... | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| gmx::ArrayRef<gmx::BasicVector<float> >::ArrayRef<std::vector<gmx::BasicVector<float>, std::allocator<gmx::BasicVector<float> > >&, void>(std::vector<gmx::BasicVector<float>, std::allocator<gmx::Bas... | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNALb7c28a0f::gmx::constr_recur(_INTERNALb7c28a0f::gmx::ListOfLists<int> const&, std::array<InteractionList, 94ul> const&, _INTERNALb7c28a0f::gmx::ArrayRef<t_iparams const>, bool, int, int, int, _INTERNALb7c28a0f::gmx::ArrayR... | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| getGroupType(SimulationGroups const&, SimulationAtomGroupType, int) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| AtomIterator::operator==(AtomIterator const&) const | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| AtomProxy::residueNumber() const | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| void _INTERNALa73835ba::doStopComMotionLinear<3>(t_mdatoms const&, gmx::ArrayRef<gmx::BasicVector<float> >, t_vcm const&) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| add_ebin(t_ebin*, int, int, float const*, bool) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNAL1bba7552::gmx::assign_constraint(_INTERNAL1bba7552::gmx::Lincs*, int, int, int, float, float, _INTERNAL1bba7552::gmx::ListOfLists<int> const&) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| gmx::SettleData::virfac() const | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNAL1bba7552::gmx::lincs_update_atoms(_INTERNAL1bba7552::gmx::Lincs*, int, float, _INTERNAL1bba7552::gmx::ArrayRef<float const>, _INTERNAL1bba7552::gmx::ArrayRef<_INTERNAL1bba7552::gmx::BasicVector<float> const>, _INTERNAL1bba7552::g... | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| mdoutf_get_tng_compressed_lambda_output_interval(gmx_mdoutf*) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| gmx::Lincs::~Lincs() | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| acosf | libm.so.6 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | 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_mpi.so.7.0.0 | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 1.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNALc39bc2c0::bonded_cg_distance_mol(gmx_moltype_t const*, gmx::DDBondedChecking, bool, gmx::ArrayRef<gmx::BasicVector<float> const>, bonded_distance_t*, bonded_distance_t*) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 1.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| do_stopcm_grp(t_mdatoms const&, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >, t_vcm const&) [clone ._omp_fn.0] | libgromacs_mpi.so.7 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| __nptl_change_stack_perm | ld-linux-x86-64.so.2 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| fftwf_codelet_t1fuv_8_sse2 | libfftw3f.so.3.6.10 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| gmx::assign_constraint(gmx::Lincs*, int, int, int, float, float, gmx::ListOfLists<int> const&) | libgromacs_mpi.so.7 | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 1.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| exp | gmx_mpi | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
| expf | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 2.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| fftwf_cpy2d_pair | libfftw3f.so.3.6.10 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| _dl_mcount | ld-linux-x86-64.so.2 | 0 | 0 | NA | 0 | 0.01 | NA | 1 | 1 | NA | NA | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
| _dl_deallocate_tls | ld-linux-x86-64.so.2 | 0 | 0 | NA | 0 | 0 | NA | 1 | 1 | NA | NA | NA | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
| fftwf_cpy2d_pair_ci | libfftw3f.so.3.6.10 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| fftwf_cpy2d_co | libfftw3f.so.3.6.10 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| fftwf_cpy2d_ci | libfftw3f.so.3.6.10 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
| __kmp_fork_call | libiomp5.so | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| exp | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 1.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| gmx::SettleData::setConstraints(InteractionList const&, int, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNAL3b86f157::copyMovedAtomsToBufferPerAtom(gmx::ArrayRef<int const>, int, int, float (*) [3], gmx_domdec_comm_t*) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNAL3b86f157::clear_and_mark_ind(gmx::ArrayRef<int const>, gmx::ArrayRef<int const>, gmx_ga2la_t*, int*) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNAL83cfe191::dd_sort_order_nbnxn(t_forcerec const*, std::vector<gmx_cgsort, std::allocator<gmx_cgsort> >*) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNAL83cfe191::clearDDStateIndices(gmx_domdec_t*, bool) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| gmx::SettleData::hw3() const | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| nral_rt(int) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| mk_mshift(_IO_FILE*, t_graph*, PbcType, float const (*) [3], float const (*) [3]) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 2.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNAL1bba7552::gmx::set_lincs_matrix(_INTERNAL1bba7552::gmx::Lincs*, _INTERNAL1bba7552::gmx::ArrayRef<float const>, float) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| gmx_reverse_top_t::interactionListForMoleculeType(int) const | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| gmx::make_at2con(int, gmx::ArrayRef<InteractionList const>, gmx::ArrayRef<t_iparams const>, gmx::FlexibleConstraintTreatment) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| _INTERNALc226143a::addAtomtype(std::vector<VerletbufAtomtype, std::allocator<VerletbufAtomtype> >*, atom_nonbonded_kinetic_prop_t const&, int) | libgromacs_mpi.so.7.0.0 | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
| void doStopComMotionLinear<3>(t_mdatoms const&, gmx::ArrayRef<gmx::BasicVector<float> >, t_vcm const&) | libgromacs_mpi.so.7 | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
