Name | Module | Coverage (%) | Time (s) | Nb Threads | GFLOP/s | Deviation (coverage) | Deviation (time) |
icx-skx | icx-zen3 | armclang-g3e | icx-skx | icx-zen3 | armclang-g3e | icx-skx | icx-zen3 | armclang-g3e | icx-skx | icx-zen3 | armclang-g3e | icx-skx | icx-zen3 | armclang-g3e | icx-skx | icx-zen3 | armclang-g3e |
nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*) | libgromacs_mpi.so.7 | NA | 61.31 | 65.11 | NA | 178 | 232.79 | NA | 1 | 1 | NA | 56.90 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 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 | 43.39 | NA | NA | 140.36 | NA | NA | 1 | NA | NA | 49.81 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*) | libgromacs_mpi.so.7 | 18.67 | 2.12 | 2.61 | 60.39 | 6.14 | 9.33 | 1 | 1 | 1 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*) | libgromacs_mpi.so.7 | NA | 9.47 | 10.4 | NA | 27.5 | 37.17 | NA | 1 | 1 | NA | 67.04 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 |
gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float) | libgromacs_mpi.so.7 | 4.2 | 3.5 | 0.91 | 13.6 | 10.17 | 3.25 | 1 | 1 | 1 | 14.96 | 30.06 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.11] | libgromacs_mpi.so.7 | 4.42 | 4.16 | NA | 14.3 | 12.09 | NA | 1 | 1 | NA | 4.99 | 8.41 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
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 | 6.47 | NA | NA | 20.94 | NA | NA | 1 | NA | NA | 57.97 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
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 | 3.55 | 1.91 | 0.76 | 11.47 | 5.54 | 2.71 | 1 | 1 | 1 | 2.74 | 3.20 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
Unknown function | anon | NA | NA | 4.05 | NA | NA | 14.49 | NA | NA | 1 | NA | NA | 0.00 | 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 | 1.61 | 0.76 | 0.74 | 5.21 | 2.21 | 2.64 | 1 | 1 | 1 | 10.32 | 37.73 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
.omp_outlined..2 | libgromacs_mpi.so.7 | NA | NA | 2.59 | NA | NA | 9.27 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
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 | 0.7 | 0.68 | 0.81 | 2.27 | 1.98 | 2.88 | 1 | 1 | 1 | 8.07 | 14.12 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
std::enable_if<((4)==(4))||((4)==(5)), gmx::BasicVector<float> >::type do_fspline::operator()<4>(std::integral_constant<int, 4>) const | libgromacs_mpi.so.7 | NA | NA | 2.09 | NA | NA | 7.49 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
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 | 2.05 | NA | NA | 6.62 | NA | NA | 1 | NA | NA | 2.44 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
nbnxn_kernel_prune_4xn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float) | libgromacs_mpi.so.7 | NA | 1.04 | 0.94 | NA | 3.03 | 3.37 | NA | 1 | 1 | NA | 56.36 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 |
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 | 0.73 | NA | 3.23 | 2.13 | NA | 1 | 1 | NA | 3.21 | 7.65 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
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 | 0.92 | 0.37 | 0.33 | 2.98 | 1.06 | 1.17 | 1 | 1 | 1 | 11.70 | 20.17 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
void gmx::settleTemplateWrapper<gmx::SimdFloat, gmx::SimdFBool, 8, float const*>(gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*, bool, float (*) [3], bool*) | libgromacs_mpi.so.7 | NA | 0.83 | 0.75 | NA | 2.41 | 2.66 | NA | 1 | 1 | NA | 16.57 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 |
PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.67] | libgromacs_mpi.so.7 | NA | 1.44 | NA | NA | 4.19 | NA | NA | 1 | NA | NA | 4.76 | 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.18] | libgromacs_mpi.so.7 | 0.79 | 0.56 | NA | 2.56 | 1.63 | NA | 1 | 1 | NA | 2.21 | 5.50 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | 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 | 0.56 | 0.37 | 0.28 | 1.82 | 1.07 | 0.99 | 1 | 1 | 1 | 3.91 | 11.14 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 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 | NA | 0.49 | 0.7 | NA | 1.43 | 2.52 | NA | 1 | 1 | NA | 14.04 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 |
void do_pairs_simple<gmx::SimdFloat, 8, float const*>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float const*, gmx::ArrayRef<float>, float) | libgromacs_mpi.so.7 | NA | 0.55 | 0.62 | NA | 1.59 | 2.2 | NA | 1 | 1 | NA | 6.77 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 |
.omp_outlined..8 | libgromacs_mpi.so.7 | NA | NA | 1.13 | NA | NA | 4.02 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
__intel_avx_rep_memcpy | gmx_mpi | 0.71 | 0.37 | NA | 2.31 | 1.06 | NA | 1 | 1 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
pbc_dx_aiuc(t_pbc const*, float const*, float const*, float*) | libgromacs_mpi.so.7 | 0.39 | 0.42 | 0.18 | 1.26 | 1.2 | 0.66 | 1 | 1 | 1 | 1.71 | 3.02 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
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 | 0.84 | 0 | 0 | 2.71 | 0 | 0 | 1 | 1 | 1 | 8.97 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
nbnxn_kernel_prune_2xnn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float) | libgromacs_mpi.so.7 | 0.82 | NA | NA | 2.64 | NA | NA | 1 | NA | NA | 43.15 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
__intel_avx_rep_memset | gmx_mpi | 0.38 | 0.4 | NA | 1.23 | 1.16 | NA | 1 | 1 | NA | 0.00 | 0.08 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
mkl_dft_avx512_mg_rowbatch_plain_fwd_096_s | libmkl_avx512.so.2 | 0.74 | NA | NA | 2.39 | NA | NA | 1 | NA | NA | 23.10 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
.omp_outlined..36 | libgromacs_mpi.so.7 | NA | NA | 0.72 | NA | NA | 2.58 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
mkl_dft_avx2_ownscDftFwd_Prime8_32fc | libmkl_avx2.so.2 | NA | 0.72 | NA | NA | 2.1 | NA | NA | 1 | NA | NA | 22.60 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
mkl_dft_avx2_ownscDftInv_Prime8_32fc | libmkl_avx2.so.2 | NA | 0.71 | NA | NA | 2.06 | NA | NA | 1 | NA | NA | 22.59 | 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 | 0.32 | 0.32 | NA | 1.02 | 0.94 | NA | 1 | 1 | NA | 5.83 | 9.56 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | 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 | 0.63 | NA | NA | 2.05 | NA | NA | 1 | NA | NA | 4.27 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int) | libgromacs_mpi.so.7 | 0.24 | 0.22 | 0.15 | 0.77 | 0.63 | 0.54 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
(anonymous namespace)::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, float (*) [4]) | libgromacs_mpi.so.7 | NA | NA | 0.58 | NA | NA | 2.06 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
mkl_dft_avx512_mg_rowbatch_plain_bwd_096_s | libmkl_avx512.so.2 | 0.56 | NA | NA | 1.8 | NA | NA | 1 | NA | NA | 28.76 | 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 | 0.26 | 0.2 | NA | 0.83 | 0.57 | NA | 1 | 1 | NA | 1.06 | 1.46 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
.omp_outlined.#0x931c04 | libgromacs_mpi.so.7 | NA | NA | 0.45 | NA | NA | 1.6 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
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 | 0.12 | 0.13 | 0.13 | 0.38 | 0.36 | 0.46 | 1 | 1 | 1 | 1.55 | 2.77 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
_ZN12_GLOBAL__N_124do_dih_fup_noshiftf_simdEPKiS1_S1_S1_N3gmx9SimdFloatES3_S3_S3_S3_S3_S3_S3_PA4_f@@608 | libgromacs_mpi.so.7 | 0.38 | NA | NA | 1.21 | NA | NA | 1 | NA | NA | 6.12 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
energyDriftAtomPair(bool, bool, float, float, float, float, pot_derivatives_t const*) | libgromacs_mpi.so.7 | 0.18 | 0.09 | 0.1 | 0.59 | 0.27 | 0.34 | 1 | 1 | 1 | 1.83 | 4.38 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
mkl_dft_avx512_ipps_cFFTfwd_64_32fc | libmkl_avx512.so.2 | 0.36 | NA | NA | 1.17 | NA | NA | 1 | NA | NA | 17.50 | 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) | libgromacs_mpi.so.7 | 0.13 | 0.13 | 0.1 | 0.4 | 0.37 | 0.34 | 1 | 1 | 1 | 2.13 | 2.85 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
mkl_dft_avx2_ipps_cFFTfwd_64_32fc | libmkl_avx2.so.2 | NA | 0.35 | NA | NA | 1.02 | NA | NA | 1 | NA | NA | 12.58 | 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*) | libgromacs_mpi.so.7 | 0.14 | 0.15 | 0.05 | 0.44 | 0.44 | 0.17 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
mkl_dft_avx2_ownscDftInv_Fact3_32fc | libmkl_avx2.so.2 | NA | 0.33 | NA | NA | 0.95 | NA | NA | 1 | NA | NA | 17.86 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
mkl_dft_avx512_ipps_cFFTinv_64_32fc | libmkl_avx512.so.2 | 0.33 | NA | NA | 1.08 | NA | NA | 1 | NA | NA | 21.48 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
_ZN12_GLOBAL__N_124do_dih_fup_noshiftf_simdEPKiS1_S1_S1_N3gmx9SimdFloatES3_S3_S3_S3_S3_S3_S3_PA4_f@@296 | libgromacs_mpi.so.7 | NA | 0.33 | NA | NA | 0.95 | NA | NA | 1 | NA | NA | 26.17 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
mkl_dft_avx2_ownscDftFwd_Fact4_32fc | libmkl_avx2.so.2 | NA | 0.33 | NA | NA | 0.95 | NA | NA | 1 | NA | NA | 6.37 | 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 | 0.09 | 0.07 | 0.17 | 0.29 | 0.19 | 0.59 | 1 | 1 | 1 | 2.52 | 2.78 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
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 | 0.12 | 0.09 | 0.12 | 0.4 | 0.25 | 0.43 | 1 | 1 | 1 | 4.90 | 2.35 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
mkl_dft_avx2_ownscDftInv_Fact4_32fc | libmkl_avx2.so.2 | NA | 0.31 | NA | NA | 0.9 | NA | NA | 1 | NA | NA | 5.78 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
mkl_dft_avx2_ownscDftFwd_Fact3_32fc | libmkl_avx2.so.2 | NA | 0.31 | NA | NA | 0.9 | NA | NA | 1 | NA | NA | 18.69 | 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 | 0.18 | 0.12 | NA | 0.57 | 0.35 | NA | 1 | 1 | NA | 1.07 | 2.80 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
mkl_dft_avx2_owns_cCcsRecombine_32f | libmkl_avx2.so.2 | NA | 0.29 | NA | NA | 0.84 | NA | NA | 1 | NA | NA | 12.48 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
mkl_dft_avx512_owns_cRealRecombine_32f | libmkl_avx512.so.2 | 0.28 | NA | NA | 0.91 | NA | NA | 1 | NA | NA | 12.52 | 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 | 0.09 | 0.12 | 0.06 | 0.28 | 0.36 | 0.2 | 1 | 1 | 1 | 1.68 | 4.94 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
copy_pmegrid_to_fftgrid(gmx_pme_t const*, float const*, float*, int) | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0.24 | 0.02 | 0.04 | 0.84 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 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 | 0.16 | 0.1 | NA | 0.51 | 0.3 | NA | 1 | 1 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
__libm_atan2f_l9 | gmx_mpi | 0.17 | 0.08 | NA | 0.55 | 0.23 | NA | 1 | 1 | NA | 0.96 | 3.74 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
__libm_sincosf_e7 | gmx_mpi | 0.13 | 0.11 | NA | 0.4 | 0.32 | NA | 1 | 1 | NA | 1.30 | 2.55 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
mkl_dft_avx2_owns_cRealRecombine_32f | libmkl_avx2.so.2 | NA | 0.24 | NA | NA | 0.69 | NA | NA | 1 | NA | NA | 17.89 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
DftiComputeBackward | libmkl_intel_lp64.so.2 | 0.09 | 0.15 | NA | 0.3 | 0.43 | NA | 1 | 1 | NA | 21.87 | 26.46 | NA | 0.00 | 0.00 | NA | 0.00 | 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 | 0.13 | 0.08 | 0.03 | 0.43 | 0.24 | 0.1 | 1 | 1 | 1 | 1.23 | 2.84 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies() | libgromacs_mpi.so.7 | 0.13 | 0.07 | 0.03 | 0.41 | 0.2 | 0.11 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
DftiComputeForward | libmkl_intel_lp64.so.2 | 0.11 | 0.11 | NA | 0.37 | 0.3 | NA | 1 | 1 | NA | 19.46 | 29.93 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
mkl_dft_avx2_ipps_cFFTinv_64_32fc | libmkl_avx2.so.2 | NA | 0.22 | NA | NA | 0.63 | NA | NA | 1 | NA | NA | 22.52 | NA | NA | 0.00 | NA | NA | 0.00 | 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 | 0.13 | 0.08 | NA | 0.42 | 0.24 | NA | 1 | 1 | NA | 1.55 | 3.47 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
wrap_periodic_pmegrid(gmx_pme_t const*, float*) | libgromacs_mpi.so.7 | 0.1 | 0.05 | 0.05 | 0.31 | 0.13 | 0.18 | 1 | 1 | 1 | 0.74 | 1.55 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
__libm_erfcf_ex | gmx_mpi | 0.09 | 0.1 | NA | 0.27 | 0.28 | NA | 1 | 1 | NA | 2.00 | 2.92 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int) | libgromacs_mpi.so.7 | 0.05 | 0.01 | 0.12 | 0.15 | 0.04 | 0.44 | 1 | 1 | 1 | 0.00 | 0.06 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
.omp_outlined..19#0x889adc | libgromacs_mpi.so.7 | NA | NA | 0.16 | NA | NA | 0.56 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
mkl_dft_avx512_owns_cCcsRecombine_32f | libmkl_avx512.so.2 | 0.16 | NA | NA | 0.51 | NA | NA | 1 | NA | NA | 13.53 | NA | NA | 0.00 | NA | NA | 0.00 | NA | 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 | 0.08 | 0.08 | NA | 0.25 | 0.24 | NA | 1 | 1 | NA | 5.08 | 9.96 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
Unknown function | libgromacs_mpi.so.7 | 0.06 | 0.04 | 0.04 | 0.18 | 0.12 | 0.13 | 1 | 1 | 1 | 8.56 | 3.56 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
.omp_outlined.#0x867d00 | libgromacs_mpi.so.7 | NA | NA | 0.14 | NA | NA | 0.5 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 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 | 0.08 | 0.02 | 0.04 | 0.25 | 0.06 | 0.14 | 1 | 1 | 1 | 9.60 | 32.71 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
__libm_exp_l9 | gmx_mpi | 0.08 | 0.05 | NA | 0.25 | 0.15 | NA | 1 | 1 | NA | 0.76 | 3.17 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
__libm_acosf_l9 | gmx_mpi | 0.09 | 0.04 | NA | 0.28 | 0.1 | NA | 1 | 1 | NA | 0.11 | 2.76 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
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 | 0.05 | 0.03 | 0.04 | 0.15 | 0.08 | 0.14 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
mkl_serv_verbose_mode | libmkl_core.so.2 | 0.04 | 0.07 | NA | 0.12 | 0.19 | NA | 1 | 1 | NA | 0.00 | 18.86 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
void armpl::fft::execute_dit<std::complex<float>, std::complex<float>, std::complex<float> >(armpl::fft::composition<std::complex<float>, std::complex<float> > const&, long, std::complex<float>*, std::com... | libarmpl.so | NA | NA | 0.11 | NA | NA | 0.41 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
mkl_dft_avx2_ownscDftInv_PrimeFact_32fc | libmkl_avx2.so.2 | NA | 0.11 | NA | NA | 0.31 | NA | NA | 1 | NA | NA | 19.69 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
.omp_outlined..25 | libgromacs_mpi.so.7 | NA | NA | 0.11 | NA | NA | 0.39 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone .extracted] | libgromacs_mpi.so.7 | 0.06 | 0.04 | NA | 0.2 | 0.11 | NA | 1 | 1 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
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 | 0.03 | 0.03 | 0.03 | 0.08 | 0.07 | 0.09 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
mkl_dft_avx512_ippsFFTInv_CCSToR_32f | libmkl_avx512.so.2 | 0.09 | NA | NA | 0.29 | NA | NA | 1 | NA | NA | 6.07 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
calcVerletBufferSize(gmx_mtop_t const&, float, t_inputrec const&, int, int, float, VerletbufListSetup const&) | libgromacs_mpi.so.7 | 0.04 | 0.02 | 0.02 | 0.14 | 0.06 | 0.06 | 1 | 1 | 1 | 2.14 | 3.52 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
__exp_finite | libamath_aarch64.so | NA | NA | 0.08 | NA | NA | 0.29 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
.omp_outlined..17 | libgromacs_mpi.so.7 | NA | NA | 0.08 | NA | NA | 0.28 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
mkl_dft_avx2_ownscDftFwd_PrimeFact_32fc | libmkl_avx2.so.2 | NA | 0.08 | NA | NA | 0.22 | NA | NA | 1 | NA | NA | 27.27 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
__libm_expf_l9 | gmx_mpi | 0.03 | 0.04 | NA | 0.09 | 0.12 | NA | 1 | 1 | NA | 1.33 | 3.07 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
gmx_fft_1d(gmx_fft*, gmx_fft_direction, void*, void*) | libgromacs_mpi.so.7 | 0.04 | 0.03 | NA | 0.13 | 0.07 | NA | 1 | 1 | NA | 45.54 | 34.93 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
void armpl::fft::execute_dif<std::complex<float>, float, std::complex<float> >(armpl::fft::composition<std::complex<float>, float> const&, long, std::complex<float>*, float*, long, long, long, long, std::complex<f... | libarmpl.so | NA | NA | 0.06 | NA | NA | 0.23 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
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 | 0.04 | 0.01 | 0.01 | 0.12 | 0.04 | 0.04 | 1 | 1 | 1 | 1.50 | 2.53 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
compute_mg_row_fwd | libmkl_avx512.so.2 | 0.06 | NA | NA | 0.18 | NA | NA | 1 | NA | NA | 5.33 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
quicksort | gmx_mpi | 0.06 | NA | NA | 0.18 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
compute_mg_row_bwd | libmkl_avx512.so.2 | 0.06 | NA | NA | 0.18 | NA | NA | 1 | NA | NA | 2.22 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
__fs_sin_1 | libamath_aarch64.so | NA | NA | 0.06 | NA | NA | 0.22 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
gmx_fft_many_1d(gmx_fft*, gmx_fft_direction, void*, void*) | libgromacs_mpi.so.7 | 0.04 | 0.02 | NA | 0.11 | 0.07 | NA | 1 | 1 | NA | 18.91 | 18.41 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
pthread_attr_setschedparam | libc-2.31.so | NA | NA | 0.06 | NA | NA | 0.21 | NA | NA | 1 | NA | NA | 0.00 | 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 | 0.03 | 0.03 | NA | 0.08 | 0.07 | NA | 1 | 1 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
.omp_outlined..14 | 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 |
clearForceBuffer(nbnxn_atomdata_t*, int) | libgromacs_mpi.so.7 | 0 | 0 | 0.06 | 0 | 0 | 0.2 | 1 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
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 | 0.03 | 0.02 | 0.01 | 0.1 | 0.06 | 0.05 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
__fs_atan2_1 | libamath_aarch64.so | NA | NA | 0.06 | NA | NA | 0.2 | NA | NA | 1 | NA | NA | 0.00 | 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 | 0.03 | 0.01 | 0.01 | 0.1 | 0.04 | 0.03 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 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 | 0.03 | 0.02 | NA | 0.1 | 0.07 | NA | 1 | 1 | NA | 0.30 | 0.18 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
compute_1d_small_bwd | libmkl_avx2.so.2 | NA | 0.05 | NA | NA | 0.14 | NA | NA | 1 | NA | NA | 19.46 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
gmx_fft_1d_real(gmx_fft*, gmx_fft_direction, void*, void*) | libgromacs_mpi.so.7 | 0.03 | 0.02 | NA | 0.09 | 0.05 | NA | 1 | 1 | NA | 16.00 | 34.30 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
compute_1d_small_fwd | libmkl_avx2.so.2 | NA | 0.05 | NA | NA | 0.15 | NA | NA | 1 | NA | NA | 31.03 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
globalAtomIndexToMoltypeIndices(gmx::ArrayRef<MolblockIndices const>, int) | libgromacs_mpi.so.7 | 0.02 | 0.02 | 0.01 | 0.05 | 0.05 | 0.02 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
void armpl::fft::execute_dit<float, std::complex<float>, std::complex<float> >(armpl::fft::composition<float, std::complex<float> > const&, long, float*, std::complex<float>*, long, long, long, long, std::complex<... | libarmpl.so | NA | NA | 0.05 | NA | NA | 0.17 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
mkl_dft_avx2_ippsFFTInv_CCSToR_32f | libmkl_avx2.so.2 | NA | 0.05 | NA | NA | 0.15 | NA | NA | 1 | NA | NA | 22.34 | 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 | 0.01 | 0.03 | 0.01 | 0.02 | 0.07 | 0.04 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
sloejit::function::finalise(sloejit::stack_frame_info const*) | libarmpl.so | NA | NA | 0.04 | NA | NA | 0.14 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
acosf | libm-2.31.so | NA | NA | 0.04 | NA | NA | 0.14 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
compute_1d_small_bwd | libmkl_avx512.so.2 | 0.04 | NA | NA | 0.12 | NA | NA | 1 | NA | NA | 18.67 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
mkl_dft_avx512_ippsDFTInv_CCSToR_32f | libmkl_avx512.so.2 | 0.04 | NA | NA | 0.13 | 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> >*) | libgromacs_mpi.so.7 | 0.02 | 0.01 | 0.01 | 0.08 | 0.04 | 0.03 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
__expf_finite | libamath_aarch64.so | NA | NA | 0.04 | NA | NA | 0.13 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
mkl_dft_avx512_ippsFFTFwd_RToPerm_32f | libmkl_avx512.so.2 | 0.04 | NA | NA | 0.14 | NA | NA | 1 | NA | NA | 12.57 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*) [clone .extracted] | libgromacs_mpi.so.7 | 0.02 | 0.02 | NA | 0.08 | 0.07 | NA | 1 | 1 | NA | 0.00 | 0.09 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
parse_printf_format | libc.so.6 | 0.04 | NA | NA | 0.14 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
calc_vir(int, float const (*) [3], float const (*) [3], float (*) [3], bool, float const (*) [3]) | libgromacs_mpi.so.7 | 0.02 | 0.02 | NA | 0.07 | 0.07 | NA | 1 | 1 | NA | 10.71 | 14.55 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
calc_x_times_f(int, float const (*) [3], float const (*) [3], bool, float const (*) [3], float (*) [3]) [clone .1] [clone .extracted] | libgromacs_mpi.so.7 | NA | NA | 0.03 | NA | NA | 0.11 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
unwrap_periodic_pmegrid(gmx_pme_t*, float*) | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0 | 0.02 | 0.05 | 0 | 1 | 1 | 1 | 0.00 | 0.00 | NA | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type (anonymous namespace)::rbdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, flo... | libgromacs_mpi.so.7 | 0.02 | 0.01 | NA | 0.06 | 0.04 | NA | 1 | 1 | NA | 1.83 | 2.56 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
gmx_fft_many_1d_real(gmx_fft*, gmx_fft_direction, void*, void*) | libgromacs_mpi.so.7 | 0.02 | 0.01 | NA | 0.06 | 0.04 | NA | 1 | 1 | NA | 29.33 | 16.69 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
mkl_dft_avx2_ippsDFTInv_CToC_32fc | libmkl_avx2.so.2 | NA | 0.03 | NA | NA | 0.09 | NA | NA | 1 | NA | NA | 36.08 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
__GI___printf_fp_l | libc-2.28.so | NA | 0.03 | NA | NA | 0.07 | 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 | 0.02 | 0.01 | NA | 0.05 | 0.02 | NA | 1 | 1 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 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 | 0.01 | 0.01 | 0.03 | 0.02 | 0.02 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
mkl_dft_avx2_ippsDFTFwd_RToCCS_32f | libmkl_avx2.so.2 | NA | 0.03 | NA | NA | 0.09 | NA | NA | 1 | NA | NA | 27.83 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&) [clone .extracted] | libgromacs_mpi.so.7 | 0.02 | 0.01 | NA | 0.07 | 0.02 | NA | 1 | 1 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
mkl_dft_avx2_ippsFFTFwd_RToPerm_32f | libmkl_avx2.so.2 | NA | 0.03 | NA | NA | 0.1 | NA | NA | 1 | NA | NA | 18.44 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
mkl_dft_avx512_ippsDFTFwd_RToCCS_32f | libmkl_avx512.so.2 | 0.03 | NA | NA | 0.09 | NA | NA | 1 | NA | NA | 30.22 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
mkl_dft_avx2_ippsDFTFwd_CToC_32fc | libmkl_avx2.so.2 | NA | 0.03 | NA | NA | 0.09 | NA | NA | 1 | NA | NA | 33.90 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
__cosf_finite | libamath_aarch64.so | NA | NA | 0.02 | NA | NA | 0.05 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
mkl_dft_avx2_ippsDFTInv_CCSToR_32f | libmkl_avx2.so.2 | NA | 0.02 | NA | NA | 0.07 | NA | NA | 1 | NA | NA | 21.39 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
vprintf | libc-2.31.so | NA | NA | 0.02 | NA | NA | 0.08 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
__nss_database_lookup | libc-2.31.so | NA | NA | 0.02 | NA | NA | 0.08 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
_IO_vfprintf | libc-2.28.so | NA | 0.02 | NA | NA | 0.06 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
__mth_i_erfc | libamath_aarch64.so | NA | NA | 0.02 | NA | NA | 0.05 | NA | NA | 1 | NA | NA | 0.00 | 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 | 0.01 | NA | 0.02 | 0.02 | NA | 1 | 1 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef<float const>, float, bool, t_commrec const*, gmx::Lincs*) [clone .extracted] | libgromacs_mpi.so.7 | 0.01 | 0.01 | NA | 0.02 | 0.02 | NA | 1 | 1 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
mkl_serv_verbose_mode@plt | libmkl_intel_lp64.so.2 | 0.02 | 0 | NA | 0.05 | 0 | NA | 1 | 1 | NA | 0.00 | NA | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
gmx::set_lincs_matrix(gmx::Lincs*, gmx::ArrayRef<float const>, float) [clone .extracted] | libgromacs_mpi.so.7 | 0.02 | 0 | NA | 0.05 | 0.01 | NA | 1 | 1 | NA | 0.20 | 1.13 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
__xpg_basename | libc.so.6 | 0.02 | NA | NA | 0.06 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | 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 | 0.01 | 0.01 | NA | 0.04 | 0.03 | NA | 1 | 1 | NA | 2.50 | 4.21 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
dd_redistribute_cg(_IO_FILE*, long, gmx_domdec_t*, int*, t_state*, t_forcerec*, t_nrnb*, int*) [clone .extracted] | libgromacs_mpi.so.7 | 0.01 | 0.01 | NA | 0.04 | 0.02 | NA | 1 | 1 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
sum_forces(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> const>) [clone .extracted] | libgromacs_mpi.so.7 | 0.01 | 0.01 | NA | 0.04 | 0.03 | NA | 1 | 1 | NA | 4.00 | 4.75 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
nral_rt(int) | libgromacs_mpi.so.7 | 0 | 0.02 | NA | 0.01 | 0.06 | NA | 1 | 1 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
compute_1d_small_fwd | libmkl_avx512.so.2 | 0.02 | NA | NA | 0.08 | NA | NA | 1 | NA | NA | 16.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
mkl_dft_avx512_transfer_ipp_mkl_error | libmkl_avx512.so.2 | 0.02 | NA | NA | 0.05 | NA | NA | 1 | NA | NA | 41.60 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
_IO_file_xsputn | libc-2.28.so | NA | 0.01 | NA | NA | 0.02 | NA | NA | 1 | NA | NA | 0.00 | 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 | 0.01 | NA | 0 | 0.04 | NA | 0.01 | 1 | NA | 1 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 |
strchrnul | libc-2.31.so | NA | NA | 0.01 | NA | NA | 0.02 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
__nss_database_lookup | libc.so.6 | 0.01 | NA | NA | 0.04 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
.omp_outlined.#0x90f7e8 | 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 |
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 | 0.01 | 0 | NA | 0.03 | 0 | NA | 1 | 1 | NA | 0.00 | NA | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
std::_Rb_tree_insert_and_rebalance(bool, std::_Rb_tree_node_base*, std::_Rb_tree_node_base*, std::_Rb_tree_node_base&) | libstdc++.so.6.0.29 | NA | NA | 0.01 | NA | NA | 0.02 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
mk_mshift(_IO_FILE*, t_graph*, PbcType, float const (*) [3], float const (*) [3]) | libgromacs_mpi.so.7 | 0.01 | 0 | 0 | 0.03 | 0.01 | 0.01 | 1 | 1 | 1 | 0.00 | 2.38 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
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 | 0 | 0 | 0.02 | 0 | 0 | 1 | 1 | 1 | 0.50 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 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 | 0 | 0 | 0.02 | 0.01 | 0 | 1 | 1 | 1 | 0.50 | 1.75 | NA | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
gmx::makeAtomsToConstraintsList(int, gmx::ArrayRef<InteractionList const>, gmx::ArrayRef<t_iparams const>, gmx::FlexibleConstraintTreatment) | libgromacs_mpi.so.7 | NA | 0.01 | 0 | NA | 0.02 | 0.01 | NA | 1 | 1 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 |
_IO_vfprintf | libc.so.6 | 0.01 | NA | NA | 0.04 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
_ZNSt6vectorIiSaIiEE17_M_default_appendEm.26.extracted#0x502c6c | 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 |
_IO_fwrite | libc-2.28.so | NA | 0.01 | NA | NA | 0.02 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone .extracted.31] | libgromacs_mpi.so.7 | NA | 0.01 | NA | NA | 0.04 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
dd_check_ftype(int, ReverseTopOptions const&) | libgromacs_mpi.so.7 | NA | 0.01 | 0 | NA | 0.02 | 0.01 | NA | 1 | 1 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 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 | 0.01 | NA | NA | 0.04 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
mkl_dft_avx2_ownscDftInv_PrimeFact_32fc@plt | libmkl_avx2.so.2 | NA | 0.01 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 13.38 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
unknown_kernel_region | kernel | 0.01 | 0 | NA | 0.02 | 0 | NA | 1 | 1 | NA | 0.00 | NA | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
hack_digit | libc-2.28.so | NA | 0.01 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone .extracted.30] | libgromacs_mpi.so.7 | 0.01 | NA | NA | 0.04 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | 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) [clone .57] [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 |
swapcontext | libc-2.31.so | NA | NA | 0.01 | NA | NA | 0.02 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
getVerletBufferAtomtypes(gmx_mtop_t const&, bool, bool) | libgromacs_mpi.so.7 | 0.01 | 0 | 0 | 0.02 | 0.01 | 0 | 1 | 1 | 1 | 0.00 | 0.00 | NA | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 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 | 0.01 | 0 | 0 | 0.02 | 0.01 | 0 | 1 | 1 | 1 | 0.00 | 0.00 | NA | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
__exp1 | libamath_aarch64.so | NA | NA | 0.01 | NA | NA | 0.04 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
armpl::wfta::do_dedup(armpl::wfta::ir_value_scope*) | libarmpl.so | NA | NA | 0.01 | NA | NA | 0.04 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
apply_physical_subs(sloejit::arch_traits const*, sloejit::regset_one_space const&, sloejit::regmap<sloejit::reg> const&) | libarmpl.so | NA | NA | 0.01 | NA | NA | 0.03 | 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>) [clone .23] [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 |
.omp_outlined.#0x861a44 | 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 |
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 | NA | 0.02 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
__aarch64_ldadd4_acq_rel | libarmpl.so | NA | NA | 0.01 | NA | NA | 0.04 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
.omp_outlined..3#0x923ef8 | 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_reverse_top_t::molblockIndices() const | libgromacs_mpi.so.7 | 0 | 0.01 | NA | 0 | 0.01 | NA | 1 | 1 | NA | NA | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
.omp_outlined.#0x869790 | 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 |
__libm_exp_k32 | gmx_mpi | 0 | 0.01 | NA | 0.01 | 0.02 | NA | 1 | 1 | NA | 3.00 | 1.88 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
.omp_outlined..19 | 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 |
.omp_outlined.#0x4f4404 | libgromacs_mpi.so.7 | NA | NA | 0.01 | NA | NA | 0.05 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
.omp_outlined.#0x5113b8 | 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::InMemoryDeserializer::doFloat(float*) | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | 0 | 0.01 | 0.01 | 1 | 1 | 1 | NA | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
psiginfo | libc-2.31.so | NA | NA | 0.01 | NA | NA | 0.03 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
__libc_malloc | libc-2.31.so | NA | NA | 0.01 | NA | NA | 0.03 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
atan2f | gmx_mpi | 0.01 | 0 | NA | 0.02 | 0 | NA | 1 | 1 | NA | 2.00 | NA | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
gmx::InMemoryDeserializer::doReal(float*) | 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 |
_intel_fast_memcpy | gmx_mpi | 0 | 0.01 | NA | 0.01 | 0.01 | NA | 1 | 1 | NA | 0.00 | 0.25 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
gmx::ListOfLists<int>::pushBack(gmx::ArrayRef<int const>) | libgromacs_mpi.so.7 | 0 | 0.01 | NA | 0.01 | 0.02 | NA | 1 | 1 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
__acosf_finite | libm-2.31.so | NA | NA | 0.01 | NA | NA | 0.02 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
sloejit::regmap<sloejit::regset_one_space>::operator[](sloejit::reg) | libarmpl.so | NA | NA | 0.01 | NA | NA | 0.02 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
sloejit::live_positions::emplace(sloejit::block*, sloejit::reg, sloejit::instruction*, bool, bool, bool) | libarmpl.so | NA | NA | 0.01 | NA | NA | 0.02 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
@plt_start@ | libarmpl.so | NA | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
armpl::wfta::do_opt(armpl::wfta::target const&, armpl::wfta::ir_value_scope*) | libarmpl.so | NA | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
__kmp_fork_call | libomp.so | NA | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
std::_Rb_tree_increment(std::_Rb_tree_node_base const*) | libstdc++.so.6.0.29 | NA | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
__kmp_serialized_parallel | libomp.so | NA | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
std::_Rb_tree_increment(std::_Rb_tree_node_base*) | libstdc++.so.6.0.29 | NA | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
spill_reg(sloejit::function*, std::map<sloejit::reg, sloejit::reg, std::less<sloejit::reg>, std::allocator<std::pair<sloejit::reg const, sloejit::reg> > >&, std::map<sloejit::reg, std::vector<sloejit::instruction*, std::al... | libarmpl.so | NA | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
mkl_dft_avx2_ownscDftInv_Prime8_32fc@plt | libmkl_avx2.so.2 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
__tls_get_addr | ld-2.28.so | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
acosf | gmx_mpi | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
std::pair<std::_Rb_tree_iterator<std::pair<int const, sloejit::block_live_matrix> >, bool> std::_Rb_tree<int, std::pair<int const, sloejit::block_live_matrix>, std::_Select1st<std::pair<int const, sloejit::block_live_matrix... | libarmpl.so | NA | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
cos | gmx_mpi | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
pthread_self | libpthread-2.28.so | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
logf | gmx_mpi | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
sloejit::instruction::narrow_output_active_mask(sloejit::regset const&) | libarmpl.so | NA | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
armpl::wfta::ir_builder::build_gep(armpl::wfta::ir_value_impl*, armpl::wfta::ir_value_impl*) | libarmpl.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
armpl::wfta::ir_value_scope::erase_ir_value(int) | libarmpl.so | NA | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
gmx::invertBoxMatrix(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 |
gmx::ThreadForceBuffer<float [4]>::processMask() | libgromacs_mpi.so.7 | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
ebin_increase_count(int, t_ebin*, 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 |
xdr_vector | libc-2.31.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
std::pair<std::_Rb_tree_iterator<std::pair<int const, armpl::wfta::regmap_elem> >, bool> std::_Rb_tree<int, std::pair<int const, armpl::wfta::regmap_elem>, std::_Select1st<std::pair<int const, armpl::wfta::regmap_elem> &... | libarmpl.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
.omp_outlined. | libgromacs_mpi.so.7 | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
explicit_bzero | libc-2.31.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
.omp_outlined..21#0x895194 | 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_get_stop_condition() | libgromacs_mpi.so.7 | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
armpl::wfta::ir_value_scope_any_order_iterator::ir_value_scope_any_order_iterator(armpl::wfta::ir_value_scope*, std::vector<armpl::wfta::ir_value_impl*, std::allocator<armpl::wfta::ir_value_impl*> >) | libarmpl.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
.omp_outlined..28 | libgromacs_mpi.so.7 | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
armpl::wfta::ir_value_scope_in_order_iterator::ir_value_scope_in_order_iterator(armpl::wfta::ir_value_scope*, std::vector<armpl::wfta::ir_value_impl*, std::allocator<armpl::wfta::ir_value_impl*> >, bool) | libarmpl.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
fftwf_execute_dft_r2c | libarmpl.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
__libm_cos_l9 | gmx_mpi | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
std::_Rb_tree<armpl::wfta::ir_value_impl*, armpl::wfta::ir_value_impl*, std::_Identity<armpl::wfta::ir_value_impl*>, std::less<armpl::wfta::ir_value_impl*>, std::allocator<armpl::wfta::ir_value_impl*> >::_M_erase(std::_Rb_tree_node&... | libarmpl.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
std::_Rb_tree_rebalance_for_erase(std::_Rb_tree_node_base*, std::_Rb_tree_node_base&) | libstdc++.so.6.0.29 | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
std::_Rb_tree_decrement(std::_Rb_tree_node_base*) | libstdc++.so.6.0.29 | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
__printf_fp | libc-2.31.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
operator new(unsigned long) | libstdc++.so.6.0.29 | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
getenv | libc-2.31.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
@plt_start@ | libamath_aarch64.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
___kmp_free | libomp.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
std::_Rb_tree_decrement(std::_Rb_tree_node_base const*) | libstdc++.so.6.0.29 | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
__kmp_get_global_thread_id_reg | libomp.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
__kmp_join_call | libomp.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
__libc_free | libc-2.31.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
_IO_padn | libc-2.31.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
std::locale::id::_M_id() const | libstdc++.so.6.0.29 | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
gmx_omp_get_thread_num() | libgromacs_mpi.so.7 | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
_IO_file_xsputn | libc-2.31.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
armpl::wfta::ir_value_scope::begin_any_order() | libarmpl.so | NA | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
std::_Rb_tree<armpl::wfta::ir_value_scope_iterator*, armpl::wfta::ir_value_scope_iterator*, std::_Identity<armpl::wfta::ir_value_scope_iterator*>, std::less<armpl::wfta::ir_value_scope_iterator*>, std::allocator<armpl::wfta::ir_value_scop... | libarmpl.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
std::map<armpl::wfta::atom, armpl::wfta::ir_value_impl*, std::less<armpl::wfta::atom>, std::allocator<std::pair<armpl::wfta::atom const, armpl::wfta::ir_value_impl*> > >::operator[](armpl::wfta::atom const&) | libarmpl.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
__kmpc_end_serialized_parallel | libomp.so | NA | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
__kmp_barrier | libomp.so | NA | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
z_(armpl::wfta::ir_value_scope*, sloejit::aarch64::instr_builder&, std::vector<armpl::wfta::rodata_info, std::allocator<armpl::wfta::rodata_info> >&, std::vector<unsigned char, std::allocator<unsigned char> >&, std::map&... | libarmpl.so | NA | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
__memcpy | libastring_aarch64.so | NA | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
std::_Rb_tree<armpl::wfta::atom, std::pair<armpl::wfta::atom const, armpl::wfta::atom>, std::_Select1st<std::pair<armpl::wfta::atom const, armpl::wfta::atom> >, std::less<armpl::wfta::atom>, std::allocator<std::pair<armpl::... | libarmpl.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
x_(sloejit::aarch64::instr_builder&, std::map<int, armpl::wfta::regmap_elem, std::less<int>, std::allocator<std::pair<int const, armpl::wfta::regmap_elem> > >&, armpl::wfta::ir_value_impl*) | libarmpl.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
std::_Rb_tree<armpl::wfta::atom, std::pair<armpl::wfta::atom const, armpl::wfta::atom>, std::_Select1st<std::pair<armpl::wfta::atom const, armpl::wfta::atom> >, std::less<armpl::wfta::atom>, std::allocator<std::pair<armpl::... | libarmpl.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
.omp_outlined.#0x923d34 | 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 |
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 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
armpl::wfta::type_check(std::__cxx11::list<armpl::wfta::expr, std::allocator<armpl::wfta::expr> >&, armpl::wfta::io_pointers const&, armpl::wfta::expr_type, armpl::wfta::expr_type) | libarmpl.so | NA | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
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 | NA | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
sloejit::regset::regset<sloejit::regset_one_space_iterator, void>(sloejit::regset_one_space_iterator, sloejit::regset_one_space_iterator) | libarmpl.so | NA | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
set_strata_max(armpl::wfta::ir_value_impl*, int) [clone .43] [clone .extracted] | libarmpl.so | NA | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
armpl::wfta::do_hoist(armpl::wfta::ir_value_scope*) | libarmpl.so | NA | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 |
armpl::wfta::expr::print(armpl::wfta::ir_builder&, armpl::wfta::target const&, std::map<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, armpl::wfta::ir_value_impl*, std::less<std::__cxx11::ba... | libarmpl.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
sloejit::instruction::input_regs_exact() const | libarmpl.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
sloejit::instruction::erase_output_regs_wide(sloejit::regset&) const | libarmpl.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
std::_Rb_tree_node<std::pair<sloejit::block* const, sloejit::live_range> >* std::_Rb_tree<sloejit::block*, std::pair<sloejit::block* const, sloejit::live_range>, std::_Select1st<std::pair<sloejit::block* const, sloejit::live_rang... | libarmpl.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
std::map<armpl::wfta::atom, armpl::wfta::expr_type, std::less<armpl::wfta::atom>, std::allocator<std::pair<armpl::wfta::atom const, armpl::wfta::expr_type> > >::operator[](armpl::wfta::atom const&) | libarmpl.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
sloejit::small_vector<sloejit::interval, 2ul>::push_back(sloejit::interval) | libarmpl.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
aarch64_regs_for_space(unsigned long) | libarmpl.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
sloejit::live_matrix::at(sloejit::reg) const | libarmpl.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
sloejit::instruction::output_regs_exact() const | libarmpl.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
std::_Rb_tree<armpl::wfta::atom, std::pair<armpl::wfta::atom const, armpl::wfta::expr_type>, std::_Select1st<std::pair<armpl::wfta::atom const, armpl::wfta::expr_type> >, std::less<armpl::wfta::atom>, std::allocator<std::pair&... | libarmpl.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
armpl::wfta::ir_value_function::make_root_scope() | libarmpl.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
std::_Rb_tree<sloejit::reg, std::pair<sloejit::reg const, std::map<double, sloejit::live_position_elem, std::less<double>, std::allocator<std::pair<double const, sloejit::live_position_elem> > > >, std::_Select1st<std::p... | libarmpl.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
armpl::wfta::ir_value_scope::begin_in_rev_order() | libarmpl.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
apply_subs(sloejit::regset&, std::map<sloejit::reg, unsigned char, std::less<sloejit::reg>, std::allocator<std::pair<sloejit::reg const, unsigned char> > > const&) | libarmpl.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
std::pair<std::_Rb_tree_iterator<std::pair<int const, std::unique_ptr<armpl::wfta::ir_value_impl, std::default_delete<armpl::wfta::ir_value_impl> > > >, bool> std::_Rb_tree<int, std::pair<int const, std::unique_ptr<ar... | libarmpl.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
sloejit::block::substitute_constraint_set(sloejit::regmap<sloejit::reg> const&) | libarmpl.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
mkl_dft_avx2_ippsFFTInv_CCSToR_32f@plt | libmkl_avx2.so.2 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
mkl_dft_avx2_transfer_ipp_mkl_error | libmkl_avx2.so.2 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
mkl_dft_avx2_ippsFFTFwd_RToPerm_32f@plt | libmkl_avx2.so.2 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
gmx::InMemoryDeserializer::doRvec(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 |
__pthread_getspecific | libc.so.6 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
btowc | libc.so.6 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
gmx::InMemoryDeserializer::doInt(int*) | libgromacs_mpi.so.7 | 0 | 0 | NA | 0 | 0 | NA | 1 | 1 | NA | NA | NA | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
exp | gmx_mpi | 0 | 0 | NA | 0 | 0 | NA | 1 | 1 | NA | NA | NA | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
gmx::InMemorySerializer::doInt(int*) | libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | NA | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
float (anonymous namespace)::idihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*, gmx::ArrayRef<float const>, t_fcdata*, t_disresdata*, t_oriresdata*, in... | libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0 | 0.01 | 1 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
reduceForces(nbnxn_atomdata_t*, gmx::AtomLocality, Nbnxm::GridSet const&, 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 |
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 | 0 | NA | 0 | 0 | NA | 1 | 1 | NA | NA | NA | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
dd_clear_local_constraint_indices(gmx_domdec_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 |
__kmpc_end_serialized_parallel | libiomp5.so | 0 | 0 | NA | 0 | 0.01 | NA | 1 | 1 | NA | NA | 5.63 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
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 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | NA | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 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 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
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 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
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 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
void doStopComMotionLinear<3>(t_mdatoms const&, gmx::ArrayRef<gmx::BasicVector<float> >, t_vcm const&) | libgromacs_mpi.so.7 | 0 | 0 | NA | 0 | 0 | NA | 1 | 1 | NA | NA | NA | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
_itoa_word | libc-2.28.so | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
gmx::Update::deform() const | libgromacs_mpi.so.7 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
gmx::Update::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 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
gmx_omp_nthreads_get(ModuleMultiThread) | libgromacs_mpi.so.7 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
update_pcouple_after_coordinates(_IO_FILE*, long, t_inputrec const*, int, gmx::ArrayRef<unsigned short const>, float const (*) [3], float const (*) [3], float const (*) [3], float (*) [3], t_state*, t_nrnb*, gmx::BoxDeformation*, bool) | libgromacs_mpi.so.7 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
reset_enerdata(gmx_enerdata_t*) | libgromacs_mpi.so.7 | NA | 0 | 0 | NA | 0 | 0 | NA | 1 | 1 | NA | NA | NA | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 |
low_set_pbc(t_pbc*, PbcType, int const*, float const (*) [3]) | libgromacs_mpi.so.7 | 0 | 0 | NA | 0 | 0 | NA | 1 | 1 | NA | NA | NA | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
nrnbIndex(int) | libgromacs_mpi.so.7 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
gmx_pme_do(gmx_pme_t*, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<flo... | libgromacs_mpi.so.7 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
mkl_dft_avx2_ownscDftInv_Fact3_32fc@plt | libmkl_avx2.so.2 | NA | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 5.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA |
ewald_charge_correction(t_commrec const*, float, float, gmx::ArrayRef<double const>, float, float const (*) [3], float*, float (*) [3]) | libgromacs_mpi.so.7 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
@plt_start@ | libstdc++.so.6.0.29 | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |
gmx_parallel_3dfft_complex_limits(gmx_parallel_3dfft*, int*, int*, int*, int*) | libgromacs_mpi.so.7 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
gmx::HostAllocationPolicy::HostAllocationPolicy(gmx::PinningPolicy) | libgromacs_mpi.so.7 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | 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 | NA | 0 | 0 | NA | 0 | 0 | NA | 1 | 1 | NA | NA | NA | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 |
gmx_reverse_top_t::interactionListForMoleculeType(int) 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 |
shift_x(t_graph const*, float const (*) [3], float const (*) [3], float (*) [3]) | 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 |
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 | 0 | 0 | 0.01 | 0 | 0 | 1 | 1 | 1 | 0.00 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
gmx::set_lincs_matrix(gmx::Lincs*, gmx::ArrayRef<float const>, float) | libgromacs_mpi.so.7 | 0 | 0 | NA | 0.01 | 0 | NA | 1 | 1 | NA | 0.00 | NA | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
gmx_pme_do(gmx_pme_t*, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<flo... | libgromacs_mpi.so.7 | 0 | 0 | NA | 0.01 | 0 | NA | 1 | 1 | NA | 0.00 | NA | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
inflate_fast | libmpi.so.12.0.0 | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
gmx_reverse_top_t::hasPositionRestraints() const | libgromacs_mpi.so.7 | 0 | 0 | 0 | 0.01 | 0 | 0 | 1 | 1 | 1 | 0.00 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
getGroupType(SimulationGroups const&, SimulationAtomGroupType, int) | libgromacs_mpi.so.7 | 0 | 0 | NA | 0.01 | 0.01 | NA | 1 | 1 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
make_dd_indices(gmx_domdec_t*, int) | libgromacs_mpi.so.7 | 0 | 0 | 0 | 0.01 | 0 | 0 | 1 | 1 | 1 | 0.00 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
gmx_parallel_3dfft_real_limits(gmx_parallel_3dfft*, int*, int*, int*) | libgromacs_mpi.so.7 | 0 | 0 | NA | 0.01 | 0 | NA | 1 | 1 | NA | 0.00 | NA | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
erfcf | gmx_mpi | 0 | 0 | NA | 0.01 | 0 | NA | 1 | 1 | NA | 5.00 | NA | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
gmx::LegacySimulator::do_md() | libgromacs_mpi.so.7 | 0 | 0 | 0 | 0.01 | 0 | 0 | 1 | 1 | 1 | 0.00 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
_dl_rtld_di_serinfo | ld-linux-x86-64.so.2 | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | 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*) | 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 |
_IO_fwrite | 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 |
nbnxn_atomdata_copy_x_to_nbat_x(Nbnxm::GridSet const&, gmx::AtomLocality, float const (*) [3], nbnxn_atomdata_t*) [clone .extracted] | libgromacs_mpi.so.7 | 0 | 0 | NA | 0.01 | 0.01 | NA | 1 | 1 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
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 | 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 | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
mkl_dft_avx512_transfer_ipp_mkl_error@plt | libmkl_avx512.so.2 | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 112.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
update_pcouple_before_coordinates(_IO_FILE*, long, t_inputrec const*, t_state*, float (*) [3], float (*) [3], 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 |
add_ebin_indexed(t_ebin*, int, gmx::ArrayRef<bool>, gmx::ArrayRef<float const>, 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 |
MPIDIG_am_comm_abort_init | libmpi.so.12.0.0 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
_strnlen_s_chk | libiomp5.so | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
AtomProxy::residueName() 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 |
__intel_rtdd_indep | gmx_mpi | 0 | NA | NA | 0.01 | NA | NA | 1 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
gmx::SettleData::setConstraints(InteractionList const&, int, gmx::ArrayRef<float const>, gmx::ArrayRef<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 |
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 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA | NA |
expf | gmx_mpi | 0 | 0 | NA | 0.01 | 0 | NA | 1 | 1 | NA | 2.00 | NA | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
do_force(_IO_FILE*, t_commrec const*, gmx_multisim_t const*, t_inputrec const&, gmx::Awh*, gmx_enfrot*, gmx::ImdSession*, pull_t*, long, t_nrnb*, gmx_wallcycle*, gmx_localtop_t const*, float const (*) [3], gmx::ArrayRefWithPadding<gmx::BasicVector&l... | libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 1 | 1 | 1 | NA | 0.38 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
pme_run_mode(gmx_pme_t 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 |
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 | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | 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 | 0 | NA | 0 | 0 | NA | 1 | 1 | NA | NA | NA | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA |
mkl_dft_avx2_ownscDftFwd_Prime8_32fc@plt | libmkl_avx2.so.2 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
gmx::constrain_coordinates(gmx::Constraints*, bool, bool, long, t_state*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float*, bool, float (*) [3]) | libgromacs_mpi.so.7 | NA | 0 | 0 | NA | 0 | 0 | NA | 1 | 1 | NA | NA | NA | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 |
_intel_fast_memset | libiomp5.so | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
mkl_dft_avx2_owns_cRealRecombine_32f@plt | libmkl_avx2.so.2 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
scalable_aligned_malloc | libiomp5.so | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
scalable_aligned_free | libiomp5.so | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
mkl_dft_avx2_ownscDftInv_Fact4_32fc@plt | libmkl_avx2.so.2 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
make_tables(_IO_FILE*, interaction_const_t const*, char const*, float, int) | libgromacs_mpi.so.7 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
wallcycleBarrier(gmx_wallcycle*) | libgromacs_mpi.so.7 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
set_pbc_simd(t_pbc const*, float*) | libgromacs_mpi.so.7 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
.plt.got@start | libmkl_avx2.so.2 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
gmx::Constraints::Impl::apply(bool, bool, long, int, float, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >, float const (*)... | libgromacs_mpi.so.7 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
gmx::SimulationSignaller::getCommunicationBuffer() | libgromacs_mpi.so.7 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
gmx::do_constrain_first(_IO_FILE*, gmx::Constraints*, t_inputrec const*, int, int, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const (*) [3], float) | libgromacs_mpi.so.7 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
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::VirtualSitesHandler*, gmx::StepWo... | libgromacs_mpi.so.7 | NA | 0 | 0 | NA | 0 | 0 | NA | 1 | 1 | NA | NA | NA | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 |
gmx::constrain_lincs(bool, t_inputrec const&, long, gmx::Lincs*, gmx::ArrayRef<float const>, t_commrec const*, gmx_multisim_t const*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVecto... | libgromacs_mpi.so.7 | NA | 0 | 0 | NA | 0 | 0 | NA | 1 | 1 | NA | NA | NA | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 |
gmx::makeLincsDeviations(gmx::Lincs const&, gmx::ArrayRef<gmx::BasicVector<float> const>, t_pbc const*) | libgromacs_mpi.so.7 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
gmx::Update::xp() | libgromacs_mpi.so.7 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
shift_self(t_graph const&, float const (*) [3], float (*) [3]) | libgromacs_mpi.so.7 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
mkl_dft_avx2_ownscDftFwd_Fact3_32fc@plt | libmkl_avx2.so.2 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
__kmpc_fork_call | libiomp5.so | 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 |
__kmpc_push_num_threads | libiomp5.so | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
mkl_dft_avx2_ownscDftFwd_Fact4_32fc@plt | libmkl_avx2.so.2 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
mkl_dft_avx2_owns_cCcsRecombine_32f@plt | libmkl_avx2.so.2 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
__kmp_pop_current_task_from_thread | libiomp5.so | 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 |
mkl_dft_avx2_transfer_ipp_mkl_error@plt | libmkl_avx2.so.2 | 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 |
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 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
__kmp_fork_call | libiomp5.so | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
__kmp_get_global_thread_id_reg | libiomp5.so | 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 |
minCellSizeForAtomDisplacement(gmx_mtop_t const&, t_inputrec const&, gmx::ArrayRef<gmx::RangePartitioning const>, float, ChanceTarget) | libgromacs_mpi.so.7 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
ListedForces::haveCpuListedForces(t_fcdata const&) const | libgromacs_mpi.so.7 | NA | 0 | 0 | NA | 0 | 0 | NA | 1 | 1 | NA | NA | NA | NA | 0.00 | 0.00 | NA | 0.00 | 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 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
gmx_reverse_top_t::hasIntermolecularInteractions() const | libgromacs_mpi.so.7 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
mkl_dft_avx2_ownscDftFwd_PrimeFact_32fc@plt | libmkl_avx2.so.2 | 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 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
__kmp_barrier | libiomp5.so | 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 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
malloc_consolidate | libc-2.28.so | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
AtomIterator::operator++() | libgromacs_mpi.so.7 | NA | 0 | 0 | NA | 0 | 0 | NA | 1 | 1 | NA | NA | NA | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 |
__GI__dl_addr | libc-2.28.so | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
__memset_avx2_unaligned_erms | libc-2.28.so | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
_INTERNALbe3edb14::rml::internal::internalPoolMalloc(_INTERNALbe3edb14::rml::internal::MemoryPool*, unsigned long) | libiomp5.so | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
__strnlen_avx2 | libc-2.28.so | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
__strncmp_avx2 | libc-2.28.so | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
__strchrnul_avx2 | libc-2.28.so | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
ListedForces::calculate(gmx_wallcycle*, float const (*) [3], t_lambda const*, t_commrec const*, gmx_multisim_t const*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> const>, t_fcdata*,... | libgromacs_mpi.so.7 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
_IO_padn | libc-2.28.so | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
__GI___printf_fp | libc-2.28.so | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
do_lookup_x | ld-2.28.so | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
_dl_lookup_symbol_x | ld-2.28.so | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
gmx_parallel_3dfft_execute(gmx_parallel_3dfft*, gmx_fft_direction, int, gmx_wallcycle*) | libgromacs_mpi.so.7 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
gmx_pme_do(gmx_pme_t*, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<flo... | libgromacs_mpi.so.7 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | 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) | libgromacs_mpi.so.7 | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
_IO_vfscanf | libc-2.28.so | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
sincosf | gmx_mpi | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
__GI___pthread_getspecific | libpthread-2.28.so | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
__mpn_mul_1 | libc-2.28.so | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
__libm_erf_ex | gmx_mpi | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
__mpn_divrem | libc-2.28.so | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
__libm_logf_l9 | gmx_mpi | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
_intel_fast_memset | gmx_mpi | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 | NA |
Unknown function | ld-2.31.so | NA | NA | 0 | NA | NA | 0 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 | NA | NA | 0.00 |