Name | Module | Coverage (%) | Time (s) | Nb Threads | GFLOP/s | Deviation (coverage) | Deviation (time) |
gcc | armclang | gcc | armclang | gcc | armclang | gcc | armclang | gcc | armclang | gcc | armclang |
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 | 55.45 | 53.82 | 25.69 | 24.23 | 52 | 52 | 0.00 | 0.00 | 1.38 | 1.70 | 0.70 | 0.88 |
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 | 8.59 | 8.67 | 3.98 | 3.91 | 52 | 52 | 0.00 | 0.00 | 0.27 | 0.37 | 0.07 | 0.18 |
fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*) | libgromacs_mpi.so.7 | 4.16 | 4.29 | 1.93 | 1.93 | 52 | 52 | 0.00 | 0.00 | 0.30 | 0.42 | 0.11 | 0.15 |
Unknown function | anon | 3.65 | 3.86 | 1.69 | 1.74 | 52 | 52 | 0.00 | 0.00 | 0.26 | 0.36 | 0.09 | 0.14 |
__sched_yield | libc-2.31.so | 2.52 | 2.76 | 1.17 | 1.24 | 52 | 52 | 0.00 | 0.00 | 0.52 | 0.48 | 0.19 | 0.17 |
gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float) | libgromacs_mpi.so.7 | 3.33 | 1.33 | 1.54 | 0.6 | 52 | 52 | 0.00 | 0.00 | 0.94 | 0.37 | 0.41 | 0.16 |
spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone ._omp_fn.1] | libgromacs_mpi.so.7 | 3.83 | NA | 1.77 | NA | 52 | NA | 0.00 | NA | 0.97 | NA | 0.43 | NA |
.omp_outlined..2 | libgromacs_mpi.so.7 | NA | 3.81 | NA | 1.71 | NA | 52 | NA | 0.00 | NA | 0.86 | NA | 0.36 |
clearForceBuffer(nbnxn_atomdata_t*, int) | libgromacs_mpi.so.7 | 1.2 | 1.18 | 0.55 | 0.53 | 52 | 52 | 0.00 | 0.00 | 0.19 | 0.20 | 0.08 | 0.08 |
.omp_outlined..4#0x933f98 | libgromacs_mpi.so.7 | NA | 2.22 | NA | 1 | NA | 52 | NA | 0.00 | NA | 0.36 | NA | 0.14 |
nbnxn_kernel_prune_4xn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float) | libgromacs_mpi.so.7 | 1.22 | 0.83 | 0.57 | 0.38 | 52 | 52 | 0.00 | 0.00 | 0.09 | 0.11 | 0.04 | 0.04 |
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 | 1.96 | NA | 0.88 | NA | 52 | NA | 0.00 | NA | 0.71 | NA | 0.29 |
spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone ._omp_fn.2] | libgromacs_mpi.so.7 | 1.96 | NA | 0.91 | NA | 52 | NA | 0.00 | NA | 0.31 | NA | 0.13 | NA |
kmp_flag_64<false, true>::wait(kmp_info*, int, void*) | libomp.so | 0.8 | 0.86 | 0.37 | 0.39 | 52 | 52 | 0.00 | 0.00 | 0.20 | 0.18 | 0.08 | 0.07 |
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 | 0.68 | 0.8 | 0.31 | 0.36 | 52 | 52 | 0.00 | 0.00 | 0.14 | 0.18 | 0.06 | 0.07 |
solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int) | libgromacs_mpi.so.7 | 0.6 | 0.61 | 0.28 | 0.28 | 52 | 52 | 0.00 | 0.00 | 0.11 | 0.10 | 0.05 | 0.04 |
.omp_outlined..27 | libgromacs_mpi.so.7 | NA | 1.12 | NA | 0.51 | NA | 52 | NA | 0.00 | NA | 0.19 | NA | 0.07 |
(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 | 0.54 | 0.58 | 0.25 | 0.26 | 52 | 52 | 0.00 | 0.00 | 0.09 | 0.11 | 0.04 | 0.04 |
nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone ._omp_fn.0] | libgromacs_mpi.so.7 | 1.03 | NA | 0.48 | NA | 52 | NA | 0.00 | NA | 0.13 | NA | 0.06 | NA |
.omp_outlined..36 | libgromacs_mpi.so.7 | NA | 1.01 | NA | 0.46 | NA | 52 | NA | 0.00 | NA | 0.17 | NA | 0.07 |
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 | NA | 0.46 | NA | 52 | NA | 0.00 | NA | 0.06 | NA | 0.02 | NA |
.omp_outlined..8 | libgromacs_mpi.so.7 | NA | 0.95 | NA | 0.43 | NA | 52 | NA | 0.00 | NA | 0.10 | NA | 0.04 |
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 | 0.6 | 0.33 | 0.28 | 0.15 | 52 | 52 | 0.00 | 0.00 | 0.14 | 0.10 | 0.06 | 0.04 |
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 | 0.88 | NA | 0.4 | NA | 52 | NA | 0.00 | NA | 0.17 | NA | 0.07 |
void gmx::settleTemplate<gmx::SimdFloat, gmx::SimdFBool, 8, 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 | 0.79 | NA | 0.37 | NA | 52 | NA | 0.00 | NA | 0.17 | NA | 0.08 | 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 | 0.6 | 0.17 | 0.28 | 0.08 | 52 | 52 | 0.00 | 0.00 | 0.08 | 0.04 | 0.03 | 0.02 |
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 | 0.76 | NA | 0.34 | NA | 52 | NA | 0.00 | NA | 0.16 | NA | 0.06 |
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 | 0.73 | NA | 0.34 | NA | 52 | NA | 0.00 | NA | 0.12 | NA | 0.05 | NA |
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 | 0.66 | NA | 0.31 | NA | 52 | NA | 0.00 | NA | 0.15 | NA | 0.07 | NA |
gmx::lincs_update_atoms_ind(gmx::ArrayRef<int const>, gmx::ArrayRef<gmx::AtomPair const>, float, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>, float (*) [3]) | libgromacs_mpi.so.7 | NA | 0.66 | NA | 0.3 | NA | 52 | NA | 0.00 | NA | 0.14 | NA | 0.06 |
copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int) | libgromacs_mpi.so.7 | 0.32 | 0.33 | 0.15 | 0.15 | 52 | 52 | 0.00 | 0.00 | 0.06 | 0.09 | 0.03 | 0.04 |
.omp_outlined.#0x931c04 | libgromacs_mpi.so.7 | NA | 0.64 | NA | 0.29 | NA | 52 | NA | 0.00 | NA | 0.16 | NA | 0.06 |
gmx::lincs_update_atoms_ind(gmx::ArrayRef<int const>, gmx::ArrayRef<gmx::AtomPair const>, float, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>, float (*) [3]) [clone... | libgromacs_mpi.so.7 | 0.61 | NA | 0.28 | NA | 52 | NA | 0.00 | NA | 0.13 | NA | 0.06 | 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 | 0.6 | NA | 0.28 | NA | 52 | NA | 0.00 | NA | 0.09 | NA | 0.04 | NA |
.omp_outlined..19#0x889adc | libgromacs_mpi.so.7 | NA | 0.58 | NA | 0.26 | NA | 52 | NA | 0.00 | NA | 0.13 | NA | 0.05 |
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 | 0.56 | NA | 0.25 | NA | 52 | NA | 0.00 | NA | 0.11 | NA | 0.04 |
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 | 0.51 | NA | 0.23 | NA | 52 | NA | 0.00 | NA | 0.11 | NA | 0.04 | NA |
(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 | 0.45 | NA | 0.2 | NA | 52 | NA | 0.00 | NA | 0.12 | NA | 0.05 |
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 | 0.42 | NA | 0.2 | NA | 52 | NA | 0.00 | NA | 0.12 | NA | 0.05 | NA |
.omp_outlined..17 | libgromacs_mpi.so.7 | NA | 0.42 | NA | 0.19 | NA | 52 | NA | 0.00 | NA | 0.12 | NA | 0.05 |
pbc_dx_aiuc(t_pbc const*, float const*, float const*, float*) | libgromacs_mpi.so.7 | 0.16 | 0.18 | 0.07 | 0.08 | 52 | 52 | 0.00 | 0.00 | 0.06 | 0.05 | 0.03 | 0.02 |
explicit_bzero | libc-2.31.so | 0.31 | 0 | 0.15 | 0 | 52 | 1 | 0.00 | NA | 0.10 | 0.00 | 0.04 | 0.00 |
copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int) | libgromacs_mpi.so.7 | 0.15 | 0.15 | 0.07 | 0.07 | 44 | 37 | 0.00 | 0.00 | 0.10 | 0.09 | 0.04 | 0.04 |
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 | 0.14 | 0.14 | 0.06 | 0.06 | 52 | 52 | 0.00 | 0.00 | 0.04 | 0.04 | 0.02 | 0.02 |
gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies() | libgromacs_mpi.so.7 | 0.02 | 0.22 | 0.01 | 0.1 | 48 | 52 | 0.00 | 0.00 | 0.01 | 0.09 | 0.01 | 0.04 |
__kmp_hyper_barrier_release(barrier_type, kmp_info*, int, int, int, void*) | libomp.so | 0.1 | 0.12 | 0.05 | 0.06 | 52 | 52 | 0.00 | 0.00 | 0.06 | 0.05 | 0.03 | 0.02 |
__aarch64_ldadd8_acq_rel | libomp.so | 0.11 | 0.1 | 0.05 | 0.05 | 52 | 52 | 0.00 | 0.00 | 0.10 | 0.08 | 0.04 | 0.03 |
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 | 0.1 | 0.11 | 0.05 | 0.05 | 52 | 52 | 0.00 | 0.00 | 0.04 | 0.04 | 0.02 | 0.02 |
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 | 0.06 | 0.11 | 0.03 | 0.05 | 52 | 52 | 0.00 | 0.00 | 0.03 | 0.05 | 0.01 | 0.02 |
Unknown function | [vdso] | 0.08 | 0.08 | 0.04 | 0.04 | 52 | 52 | 0.00 | 0.00 | 0.04 | 0.05 | 0.02 | 0.02 |
__kmp_launch_thread | libomp.so | 0.09 | 0.07 | 0.04 | 0.03 | 51 | 51 | 0.00 | 0.00 | 0.04 | 0.03 | 0.02 | 0.01 |
.omp_outlined..25 | libgromacs_mpi.so.7 | NA | 0.16 | NA | 0.07 | NA | 52 | NA | 0.00 | NA | 0.05 | NA | 0.02 |
Unknown function | libgromacs_mpi.so.7 | 0.06 | 0.09 | 0.03 | 0.04 | 52 | 52 | 0.00 | 0.00 | 0.04 | 0.06 | 0.02 | 0.03 |
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 | 0.15 | NA | 0.07 | NA | 52 | NA | 0.00 | NA | 0.06 | NA | 0.03 | 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 | 0.07 | 0.07 | 0.03 | 0.03 | 52 | 52 | 0.00 | 0.00 | 0.03 | 0.03 | 0.01 | 0.01 |
.omp_outlined..14 | libgromacs_mpi.so.7 | NA | 0.14 | NA | 0.06 | NA | 52 | NA | 0.00 | NA | 0.05 | NA | 0.02 |
reduceForces(nbnxn_atomdata_t*, gmx::AtomLocality, Nbnxm::GridSet const&, float (*) [3]) [clone ._omp_fn.0] | libgromacs_mpi.so.7 | 0.13 | NA | 0.06 | NA | 52 | NA | 0.00 | NA | 0.04 | NA | 0.02 | NA |
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 | 0.06 | 0.07 | 0.03 | 0.03 | 52 | 51 | 0.00 | 0.00 | 0.03 | 0.03 | 0.01 | 0.01 |
.omp_outlined.#0x867d00 | libgromacs_mpi.so.7 | NA | 0.11 | NA | 0.05 | NA | 52 | NA | 0.00 | NA | 0.03 | NA | 0.01 |
__kmp_hyper_barrier_gather(barrier_type, kmp_info*, int, int, void (*)(void*, void*), void*) | libomp.so | 0.05 | 0.05 | 0.02 | 0.02 | 50 | 52 | 0.00 | 0.00 | 0.03 | 0.03 | 0.01 | 0.01 |
bond_angle(float const*, float const*, float const*, t_pbc const*, float*, float*, float*, int*, int*) | libgromacs_mpi.so.7 | 0.06 | 0.04 | 0.03 | 0.02 | 52 | 48 | 0.00 | 0.00 | 0.03 | 0.02 | 0.01 | 0.01 |
std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type (anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, floa... | libgromacs_mpi.so.7 | 0.05 | 0.04 | 0.02 | 0.02 | 52 | 51 | 0.00 | 0.00 | 0.02 | 0.02 | 0.01 | 0.01 |
@plt_start@ | libarmpl.so | 0.05 | 0.04 | 0.02 | 0.02 | 51 | 51 | 0.00 | 0.00 | 0.02 | 0.02 | 0.01 | 0.01 |
std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::rbdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*... | libgromacs_mpi.so.7 | 0.05 | 0.04 | 0.02 | 0.02 | 35 | 32 | 0.00 | 0.00 | 0.07 | 0.05 | 0.03 | 0.02 |
atan2f | libm-2.31.so | 0.08 | NA | 0.04 | NA | 52 | NA | 0.00 | NA | 0.04 | NA | 0.02 | NA |
void gmx::settleTemplate<gmx::SimdFloat, gmx::SimdFBool, 8, float const*, true, true>(gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*, float (*) [3], bool*) | libgromacs_mpi.so.7 | 0.08 | NA | 0.04 | NA | 52 | NA | 0.00 | NA | 0.03 | NA | 0.01 | 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 | NA | 0.07 | NA | 0.03 | NA | 52 | NA | 0.00 | NA | 0.03 | NA | 0.01 |
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 | 0.07 | NA | 0.03 | NA | 51 | NA | 0.00 | NA | 0.03 | NA | 0.01 | NA |
.omp_outlined..3#0x923ef8 | libgromacs_mpi.so.7 | NA | 0.06 | NA | 0.03 | NA | 52 | NA | 0.00 | NA | 0.03 | NA | 0.01 |
__fs_sin_1 | libamath_aarch64.so | NA | 0.06 | NA | 0.03 | NA | 52 | NA | 0.00 | NA | 0.03 | NA | 0.01 |
evaluate_single(float, float, float const*, float, float, float, float, float*, float*) | libgromacs_mpi.so.7 | 0.06 | NA | 0.03 | NA | 51 | NA | 0.00 | NA | 0.03 | NA | 0.01 | NA |
armpl::fft::iface::plan_dft_many<std::complex<float>, std::complex<float> >::execute(void*, long, void*, long) | libarmpl.so | 0.03 | 0.03 | 0.01 | 0.01 | 46 | 43 | 0.00 | 0.00 | 0.01 | 0.02 | 0.01 | 0.01 |
unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone ._omp_fn.1] | libgromacs_mpi.so.7 | 0.06 | NA | 0.03 | NA | 52 | NA | 0.00 | NA | 0.03 | NA | 0.01 | NA |
std::complex<float>* armpl::fft::get_memory<std::complex<float> >(armpl::fft::buffer_name, unsigned long) | libarmpl.so | 0.03 | 0.03 | 0.01 | 0.01 | 44 | 47 | 0.00 | 0.00 | 0.02 | 0.02 | 0.01 | 0.01 |
clearRVecs(gmx::ArrayRef<gmx::BasicVector<float> >, bool) [clone ._omp_fn.0] | libgromacs_mpi.so.7 | 0.05 | NA | 0.02 | NA | 50 | NA | 0.00 | NA | 0.03 | NA | 0.01 | 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 | 0.05 | NA | 0.03 | NA | 52 | NA | 0.00 | NA | 0.03 | NA | 0.01 | NA |
__kmp_barrier | libomp.so | 0.03 | 0.02 | 0.01 | 0.01 | 44 | 43 | 0.00 | 0.00 | 0.02 | 0.01 | 0.01 | 0.01 |
.omp_outlined.#0x8838b0 | libgromacs_mpi.so.7 | NA | 0.05 | NA | 0.02 | NA | 51 | NA | 0.00 | NA | 0.03 | NA | 0.01 |
__fs_atan2_1 | libamath_aarch64.so | NA | 0.05 | NA | 0.02 | NA | 51 | NA | 0.00 | NA | 0.02 | NA | 0.01 |
sincosf | libm-2.31.so | 0.04 | NA | 0.02 | NA | 51 | NA | 0.00 | NA | 0.02 | NA | 0.01 | NA |
acosf | libm-2.31.so | 0 | 0.04 | 0 | 0.02 | 6 | 50 | NA | 0.00 | 0.00 | 0.02 | 0.00 | 0.01 |
rebalanceSimpleLists(gmx::ArrayRef<NbnxnPairlistCpu const>, gmx::ArrayRef<NbnxnPairlistCpu>, gmx::ArrayRef<PairsearchWork>) [clone ._omp_fn.0] | libgromacs_mpi.so.7 | 0.04 | NA | 0.02 | NA | 48 | NA | 0.00 | NA | 0.02 | NA | 0.01 | NA |
.omp_outlined..38 | libgromacs_mpi.so.7 | NA | 0.04 | NA | 0.02 | NA | 51 | NA | 0.00 | NA | 0.02 | NA | 0.01 |
atanf | libm-2.31.so | 0.04 | NA | 0.02 | NA | 50 | NA | 0.00 | NA | 0.02 | NA | 0.01 | NA |
@plt_start@ | libomp.so | 0.02 | 0.02 | 0.01 | 0.01 | 46 | 43 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.01 |
__kmp_join_barrier(int) | libomp.so | 0.02 | 0.02 | 0.01 | 0.01 | 41 | 44 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 |
fftwf_execute_dft | libarmpl.so | 0.02 | 0.02 | 0.01 | 0.01 | 40 | 38 | 0.00 | 0.00 | 0.01 | 0.02 | 0.01 | 0.01 |
__kmp_invoke_task_func | libomp.so | 0.02 | 0.02 | 0.01 | 0.01 | 46 | 46 | 0.00 | 0.00 | 0.01 | 0.02 | 0.01 | 0.01 |
unsigned long long __kmp_wait<unsigned long long>(unsigned long long volatile*, unsigned long long, unsigned int (*)(unsigned long long, unsigned long long), void*) | libomp.so | 0.03 | NA | 0.01 | NA | 46 | NA | 0.00 | NA | 0.02 | NA | 0.01 | 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 | 0.02 | 0.01 | 0.01 | 30 | 29 | 0.00 | 0.00 | 0.01 | 0.03 | 0.00 | 0.01 |
.omp_outlined.#0x90e7b0 | libgromacs_mpi.so.7 | NA | 0.03 | NA | 0.01 | NA | 44 | NA | 0.00 | NA | 0.02 | NA | 0.01 |
__kmp_invoke_microtask | libomp.so | 0.01 | 0.02 | 0 | 0.01 | 27 | 34 | NA | 0.00 | 0.01 | 0.01 | 0.00 | 0.01 |
calc_x_times_f(int, float const (*) [3], float const (*) [3], bool, float const (*) [3], float (*) [3]) | libgromacs_mpi.so.7 | 0.03 | NA | 0.01 | NA | 46 | NA | 0.00 | NA | 0.01 | NA | 0.01 | NA |
void __kmp_dispatch_deo<unsigned int>(int*, int*, ident*) | libomp.so | NA | 0.03 | NA | 0.01 | NA | 48 | NA | 0.00 | NA | 0.02 | NA | 0.01 |
int assignInteractionsForAtom<true>(AtomIndexSet const&, reverse_ilist_t const&, gmx_ga2la_t const&, gmx_domdec_zones_t const&, bool, int const*, bool, float, t_pbc const*, gmx::ArrayRef<gmx::BasicVector<float> const>, Int... | libgromacs_mpi.so.7 | NA | 0.03 | NA | 0.01 | NA | 41 | NA | 0.00 | NA | 0.02 | NA | 0.01 |
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 | 0.01 | 0.01 | 0 | 30 | 19 | 0.00 | NA | 0.01 | 0.01 | 0.01 | 0.00 |
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 | 0.03 | NA | 0.01 | NA | 47 | NA | 0.00 | NA | 0.02 | NA | 0.01 |
setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&) | libgromacs_mpi.so.7 | NA | 0.03 | NA | 0.01 | NA | 1 | NA | 0.00 | NA | 0.00 | NA | 0.00 |
int make_bondeds_zone<true>(gmx_reverse_top_t const&, gmx::ArrayRef<int const>, gmx_ga2la_t const&, gmx_domdec_zones_t const&, std::vector<gmx_molblock_t, std::allocator<gmx_molblock_t> > const&, bool, int const*, bo... | libgromacs_mpi.so.7 | 0.03 | NA | 0.01 | NA | 46 | NA | 0.00 | NA | 0.02 | NA | 0.01 | NA |
void armpl::fft::execute<float, std::complex<float> >(armpl::fft::composition<float, std::complex<float> > const&, long, float*, std::complex<float>*, long, long, long, long) | libarmpl.so | 0.01 | 0.01 | 0 | 0 | 19 | 25 | NA | NA | 0.01 | 0.01 | 0.00 | 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 | 0.02 | NA | 0.01 | NA | 41 | NA | 0.00 | NA | 0.02 | NA | 0.01 |
.omp_outlined.#0x4f4404 | libgromacs_mpi.so.7 | NA | 0.02 | NA | 0.01 | NA | 36 | NA | 0.00 | NA | 0.02 | NA | 0.01 |
armpl::fft::iface::plan_dft_many<float, std::complex<float> >::execute(void*, void*) | libarmpl.so | 0.01 | 0.01 | 0 | 0 | 20 | 22 | NA | NA | 0.01 | 0.01 | 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 | 0.02 | NA | 0.01 | NA | 39 | NA | 0.00 | NA | 0.02 | NA | 0.01 |
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 | 0.01 | 0.01 | 0 | 0 | 18 | 20 | NA | NA | 0.01 | 0.00 | 0.00 | 0.00 |
energyDriftAtomPair(bool, bool, float, float, float, float, pot_derivatives_t const*) | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0 | 0.01 | 1 | 1 | NA | 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 | 0.01 | 0.01 | 0 | 0 | 20 | 19 | NA | NA | 0.01 | 0.01 | 0.00 | 0.00 |
gmx_fft_1d(gmx_fft*, gmx_fft_direction, void*, void*) | libgromacs_mpi.so.7 | 0.02 | NA | 0.01 | NA | 45 | NA | 0.00 | NA | 0.01 | NA | 0.01 | NA |
fftwf_execute_dft_r2c | libarmpl.so | 0.01 | 0.01 | 0 | 0.01 | 23 | 36 | NA | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 |
gmx_fft_many_1d(gmx_fft*, gmx_fft_direction, void*, void*) | libgromacs_mpi.so.7 | NA | 0.02 | NA | 0.01 | NA | 40 | NA | 0.00 | NA | 0.02 | NA | 0.01 |
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 | 0.01 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
armpl::fft::iface::plan_dft_many<std::complex<float>, float>::execute(void*, long, void*, long) | libarmpl.so | 0.01 | 0.01 | 0 | 0 | 27 | 24 | NA | NA | 0.01 | 0.00 | 0.00 | 0.00 |
__kmp_get_global_thread_id_reg | libomp.so | 0.01 | 0.01 | 0.01 | 0 | 32 | 19 | 0.00 | NA | 0.01 | 0.01 | 0.00 | 0.00 |
__atan2f_finite | libm-2.31.so | 0.02 | NA | 0.01 | NA | 44 | NA | 0.00 | NA | 0.02 | NA | 0.01 | NA |
gmx::ThreadedForceBuffer<float [4]>::setupReduction() | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
armpl::fft::iface::plan_dft_many<float, std::complex<float> >::execute(void*, long, void*, long) | libarmpl.so | 0.01 | 0.01 | 0 | 0 | 31 | 30 | NA | NA | 0.01 | 0.01 | 0.00 | 0.00 |
__acosf_finite | libm-2.31.so | 0.01 | 0.01 | 0 | 0 | 31 | 26 | NA | NA | 0.01 | 0.01 | 0.00 | 0.00 |
sloejit::function::finalise(sloejit::stack_frame_info const*) | libarmpl.so | 0.01 | 0.01 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
pthread_attr_setschedparam | libc-2.31.so | 0.01 | 0.01 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 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 | 0.02 | NA | 0.01 | NA | 46 | NA | 0.00 | NA | 0.02 | NA | 0.01 | NA |
unwrap_periodic_pmegrid(gmx_pme_t*, float*) | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
__kmpc_barrier | libomp.so | 0.01 | 0.01 | 0 | 0.01 | 22 | 35 | NA | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 |
__cosf_finite | libamath_aarch64.so | NA | 0.02 | NA | 0.01 | NA | 40 | NA | 0.00 | NA | 0.01 | 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 | 0.02 | NA | 0.01 | NA | 46 | NA | 0.00 | NA | 0.01 | NA | 0.01 | NA |
cos | libm-2.31.so | 0.01 | 0.01 | 0 | 0 | 25 | 32 | NA | NA | 0.01 | 0.01 | 0.00 | 0.00 |
.omp_outlined..19 | libgromacs_mpi.so.7 | NA | 0.02 | NA | 0.01 | NA | 34 | NA | 0.00 | NA | 0.01 | NA | 0.01 |
__kmp_finish_implicit_task | libomp.so | 0.01 | 0.01 | 0 | 0.01 | 21 | 36 | NA | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 |
divide_bondeds_over_threads(bonded_threading_t*, bool, InteractionDefinitions const&) | libgromacs_mpi.so.7 | 0.02 | NA | 0.01 | NA | 1 | NA | 0.00 | NA | 0.00 | NA | 0.00 | NA |
.omp_outlined..21 | libgromacs_mpi.so.7 | NA | 0.01 | NA | 0 | NA | 22 | NA | NA | NA | 0.01 | NA | 0.00 |
__exp_finite | libamath_aarch64.so | NA | 0.01 | NA | 0.01 | NA | 1 | NA | 0.00 | NA | 0.00 | NA | 0.00 |
__expf_finite | libamath_aarch64.so | NA | 0.01 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
.omp_outlined.#0x861a44 | libgromacs_mpi.so.7 | NA | 0.01 | NA | 0 | NA | 22 | NA | NA | NA | 0.01 | NA | 0.00 |
.omp_outlined.#0x90f7e8 | libgromacs_mpi.so.7 | NA | 0.01 | NA | 0 | NA | 25 | NA | NA | NA | 0.01 | 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 | 0.01 | NA | 0 | NA | 23 | NA | NA | NA | 0.01 | NA | 0.00 |
atoms_to_constraints(gmx_domdec_t*, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::ListOfLists<int> const>, int, InteractionList*, std::vector<int, std::allocator<int> >*) | libgromacs_mpi.so.7 | NA | 0.01 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
.omp_outlined..49 | libgromacs_mpi.so.7 | NA | 0.01 | NA | 0 | NA | 18 | NA | NA | NA | 0.01 | NA | 0.00 |
std::vector<std::array<unsigned long, 2ul>, std::allocator<std::array<unsigned long, 2ul> > >::_M_fill_insert(__gnu_cxx::__normal_iterator<std::array<unsigned long, 2ul>*, std::vector<std::array<unsigned long, 2ul>... | libgromacs_mpi.so.7 | NA | 0.01 | NA | 0 | NA | 15 | NA | NA | NA | 0.01 | NA | 0.00 |
.omp_outlined.#0x923d34 | libgromacs_mpi.so.7 | NA | 0.01 | NA | 0.01 | NA | 37 | NA | 0.00 | NA | 0.01 | NA | 0.00 |
__kmpc_for_static_fini | libomp.so | NA | 0.01 | NA | 0 | NA | 24 | NA | NA | NA | 0.01 | NA | 0.00 |
.omp_outlined.#0x5113b8 | libgromacs_mpi.so.7 | NA | 0.01 | NA | 0 | NA | 24 | NA | NA | NA | 0.01 | 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 | 0.01 | NA | 0.01 | NA | 27 | NA | 0.00 | NA | 0.01 | NA | 0.00 |
.omp_outlined.#0x869790 | libgromacs_mpi.so.7 | NA | 0.01 | NA | 0.01 | NA | 37 | NA | 0.00 | NA | 0.01 | NA | 0.00 |
.omp_outlined.#0x46c854 | libgromacs_mpi.so.7 | NA | 0.01 | NA | 0 | NA | 26 | NA | NA | NA | 0.01 | NA | 0.00 |
.omp_outlined. | libgromacs_mpi.so.7 | NA | 0.01 | NA | 0.01 | NA | 30 | NA | 0.00 | NA | 0.01 | NA | 0.00 |
__kmpc_for_static_init_8 | libomp.so | NA | 0.01 | NA | 0 | NA | 26 | NA | NA | NA | 0.01 | NA | 0.00 |
__kmpc_for_static_init_4 | libomp.so | NA | 0.01 | NA | 0 | NA | 31 | NA | NA | NA | 0.01 | NA | 0.00 |
gmx_fft_many_1d_real(gmx_fft*, gmx_fft_direction, void*, void*) | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | 0.01 | 2 | 32 | NA | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 |
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 | 0.01 | NA | 0 | NA | 22 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
__nss_database_lookup | libc-2.31.so | 0 | 0.01 | 0 | 0 | 1 | 2 | NA | NA | 0.00 | 0.17 | 0.00 | 0.08 |
void get_cell_range<0>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*) | libgromacs_mpi.so.7 | 0.01 | NA | 0 | NA | 24 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
gmx_fft_1d_real(gmx_fft*, gmx_fft_direction, void*, void*) | libgromacs_mpi.so.7 | 0.01 | NA | 0 | NA | 25 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
void armpl::fft::execute<std::complex<float>, std::complex<float> >(armpl::fft::composition<std::complex<float>, std::complex<float> > const&, long, std::complex<float>*, std::complex<float>*, long, long,... | libarmpl.so | 0.01 | 0 | 0 | 0 | 27 | 8 | NA | NA | 0.01 | 0.00 | 0.00 | 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 | 0.01 | NA | 0 | NA | 25 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
armpl::fft::iface::plan_dft_many<std::complex<float>, float>::execute(void*, void*) | libarmpl.so | 0.01 | 0 | 0 | 0 | 25 | 17 | NA | NA | 0.01 | 0.01 | 0.00 | 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 | 0.01 | NA | 0 | NA | 20 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
gmx::lincs_thread_setup(gmx::Lincs*, int) [clone ._omp_fn.0] | libgromacs_mpi.so.7 | 0.01 | NA | 0 | NA | 22 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&) [clone ._omp_fn.0] | libgromacs_mpi.so.7 | 0.01 | NA | 0 | NA | 24 | NA | NA | NA | 0.01 | NA | 0.00 | 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 | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
armpl::fft::iface::plan_dft_many<std::complex<float>, std::complex<float> >::execute(void*, void*) | libarmpl.so | 0.01 | 0 | 0 | 0 | 22 | 13 | NA | NA | 0.01 | 0.01 | 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 | 0.01 | NA | 0 | NA | 22 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
erfcf | libm-2.31.so | 0.01 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
__expf_finite | libm-2.31.so | 0.01 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
void get_cell_range<1>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*) | libgromacs_mpi.so.7 | 0.01 | NA | 0.01 | NA | 39 | NA | 0.00 | NA | 0.01 | 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 | 0.01 | NA | 0.01 | NA | 34 | NA | 0.00 | NA | 0.01 | NA | 0.00 | NA |
unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone ._omp_fn.0] | libgromacs_mpi.so.7 | 0.01 | NA | 0.01 | NA | 31 | NA | 0.00 | NA | 0.01 | NA | 0.01 | NA |
Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>) [clone .constprop.2] [clone .isra.0] | libgromacs_mpi.so.7 | 0.01 | NA | 0.01 | NA | 27 | NA | 0.00 | NA | 0.01 | NA | 0.01 | 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 | 0.01 | NA | 0 | NA | 31 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
__exp_finite | libm-2.31.so | 0.01 | NA | 0.01 | NA | 1 | NA | 0.00 | NA | 0.00 | NA | 0.00 | NA |
sum_forces(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> const>) [clone ._omp_fn.0] | libgromacs_mpi.so.7 | 0.01 | NA | 0.01 | NA | 29 | NA | 0.00 | NA | 0.01 | 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 | 0.01 | NA | 0.01 | NA | 33 | NA | 0.00 | NA | 0.01 | NA | 0.01 | NA |
__kmp_GOMP_microtask_wrapper(int*, int*, void (*)(void*), void*) | libomp.so | 0.01 | NA | 0.01 | NA | 30 | NA | 0.00 | NA | 0.01 | NA | 0.00 | NA |
atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*) [clone ._omp_fn.0] | libgromacs_mpi.so.7 | 0.01 | NA | 0.01 | NA | 28 | NA | 0.00 | NA | 0.01 | NA | 0.00 | NA |
__kmp_now_nsec | libomp.so | 0.01 | 0 | 0 | 0 | 19 | 15 | NA | NA | 0.01 | 0.01 | 0.00 | 0.00 |
fftwf_execute_dft_c2r | libarmpl.so | 0.01 | 0 | 0 | 0 | 19 | 16 | NA | NA | 0.01 | 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 | 0.01 | 0 | 0 | 0 | 14 | 9 | NA | NA | 0.01 | 0.01 | 0.01 | 0.00 |
set_pbc_simd(t_pbc const*, float*) | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | 0 | 18 | 24 | NA | NA | 0.00 | 0.01 | 0.00 | 0.00 |
gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef<float const>, float, bool, t_commrec const*, gmx::Lincs*) | libgromacs_mpi.so.7 | 0 | 0.01 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
__kmp_api_omp_get_thread_num | libomp.so | 0 | 0.01 | 0 | 0 | 15 | 23 | NA | NA | 0.01 | 0.01 | 0.00 | 0.00 |
std::vector<int, std::allocator<int> >::_M_default_append(unsigned long) | libgromacs_mpi.so.7 | 0.01 | NA | 0 | NA | 17 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
gmx::ThreadForceBuffer<float [4]>::processMask() | libgromacs_mpi.so.7 | 0.01 | 0 | 0 | 0 | 20 | 7 | NA | NA | 0.00 | 0.01 | 0.00 | 0.00 |
__kmp_fork_barrier(int, int) | libomp.so | 0.01 | 0 | 0 | 0 | 17 | 15 | NA | NA | 0.01 | 0.01 | 0.00 | 0.00 |
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 | 0.01 | NA | 0 | NA | 21 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
_IO_fwrite | libc-2.31.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
__kmp_join_call | libomp.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
__kmp_run_before_invoked_task | libomp.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
_GLOBAL__sub_I_clag_matmul_f32.cpp | libarmpl.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
.omp_outlined..28 | libgromacs_mpi.so.7 | NA | 0 | NA | 0 | NA | 14 | NA | NA | NA | 0.01 | NA | 0.00 |
gmx::InMemorySerializer::doInt(int*) | libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 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 | 0 | NA | 0 | NA | 19 | NA | NA | NA | 0.00 | NA | 0.00 |
.omp_outlined.#0x8400a8 | libgromacs_mpi.so.7 | NA | 0 | NA | 0 | NA | 15 | NA | NA | NA | 0.01 | NA | 0.00 |
_dl_rtld_di_serinfo | ld-2.31.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
gmx::InMemoryDeserializer::doRvec(float (*) [3]) | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
__kmp_wait_4 | libomp.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
std::_Rb_tree_increment(std::_Rb_tree_node_base const*) | libstdc++.so.6.0.29 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 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 | 0 | 0 | 0 | 1 | 7 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
_ZNSt6vectorIiSaIiEE17_M_default_appendEm.26.extracted#0x502c6c | libgromacs_mpi.so.7 | NA | 0 | NA | 0 | NA | 15 | NA | NA | NA | 0.00 | NA | 0.00 |
@plt_start@ | libstdc++.so.6.0.29 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
__libc_free | libc-2.31.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
std::vector<float, gmx::Allocator<float, gmx::HostAllocationPolicy> >::_M_default_append(unsigned long) | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
nbnxn_atomdata_copy_shiftvec(bool, gmx::ArrayRef<gmx::BasicVector<float> >, nbnxn_atomdata_t*) | libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
nbnxn_get_atom_range(gmx::AtomLocality, Nbnxm::GridSet const&, int*, int*) | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
__mempcpy | libc-2.31.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
std::vector<nbnxn_cj_t, gmx::DefaultInitializationAllocator<nbnxn_cj_t, std::allocator<nbnxn_cj_t> > >::_M_default_append(unsigned long) | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
__mth_i_erfc | libamath_aarch64.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
getVdwKernelType(Nbnxm::KernelType, LJCombinationRule, VanDerWaalsType, InteractionModifiers, LongRangeVdW) | libgromacs_mpi.so.7 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
__kmpc_master | libomp.so | NA | 0 | NA | 0 | NA | 11 | NA | NA | NA | 0.00 | NA | 0.00 |
mdoutf_get_tng_box_output_interval(gmx_mdoutf*) | libgromacs_mpi.so.7 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
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 | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
ListedForces::haveCpuListedForces(t_fcdata const&) const | libgromacs_mpi.so.7 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
gmx::EnergyOutput::recordNonEnergyStep() | libgromacs_mpi.so.7 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
gmx::constr_recur(gmx::ListOfLists<int> const&, std::array<InteractionList, 94ul> const&, gmx::ArrayRef<t_iparams const>, bool, int, int, int, gmx::ArrayRef<int>, float, float, float*, int*) | libgromacs_mpi.so.7 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | 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 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
armpl::wfta::reorder_input(std::complex<double>*, std::complex<double> const*, std::vector<int, std::allocator<int> > const&) | libarmpl.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
shift_self(t_graph const&, float const (*) [3], float (*) [3]) | libgromacs_mpi.so.7 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
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 | 0 | NA | 1 | NA | NA | NA | 0.00 | 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 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
armpl::wfta::print_common(void**, std::__cxx11::list<armpl::wfta::expr, std::allocator<armpl::wfta::expr> >, armpl::wfta::target const&, long, armpl::wfta::io_pointers const&, std::vector<long, std::allocator<long> > const&a... | libarmpl.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
std::map<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, armpl::wfta::ir_value_impl*, std::less<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > >,... | libarmpl.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
armpl::wfta::ir_builder::build_index(armpl::wfta::ir_value_impl*, armpl::wfta::ir_value_impl*, armpl::wfta::ir_value_num_elems) | libarmpl.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | 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 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
armpl::wfta::ir_value_scope_any_order_iterator::operator*() | libarmpl.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
armpl::wfta::is_local_ptr(armpl::wfta::io_pointers const&, armpl::wfta::atom const&) | libarmpl.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
std::_Rb_tree<int, std::pair<int const, std::pair<armpl::wfta::ir_value_impl*, int> >, std::_Select1st<std::pair<int const, std::pair<armpl::wfta::ir_value_impl*, int> > >, std::less<int>, std::allocator<std::pair&... | libarmpl.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
std::_MakeUniq<armpl::fft::iface::central_plan_dft<std::complex<float>, std::complex<float> > >::__single_object std::make_unique<armpl::fft::iface::central_plan_dft<std::complex<float>, std::complex<float> >, a... | libarmpl.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
__fs_log_1 | libamath_aarch64.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
void std::vector<char, std::allocator<char> >::_M_range_insert<char*>(__gnu_cxx::__normal_iterator<char*, std::vector<char, std::allocator<char> > >, char*, char*, std::forward_iterator_tag) [clone .22] [clone .extract... | libgromacs_mpi.so.7 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
__kmp_task_team_setup | libomp.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
__clock_gettime | libc-2.31.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
__fd_log_1 | libamath_aarch64.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
__pthread_cleanup_push_defer | libpthread-2.31.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
__kmpc_end_master | libomp.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
__kmpc_fork_call | libomp.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
bool armpl::fft::audition_perms<std::complex<float>, std::complex<float> >(std::vector<long, std::allocator<long> >, long, std::complex<float>*, std::complex<float>*, armpl::fft::direction, armpl::fft::decimation, ... | libarmpl.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
armpl::wfta::ir_printer_sve::operator()(std::map<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::unique_ptr<sloejit::function, std::default_delete<sloejit::function> >, std::less<std... | libarmpl.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
.omp_outlined.#0x46abd4 | libgromacs_mpi.so.7 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
distributeState(gmx::MDLogger const&, gmx_domdec_t*, gmx_mtop_t const&, t_state*, gmx_ddbox_t const&, t_state*) | libgromacs_mpi.so.7 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
gmx_reverse_top_t::hasIntermolecularInteractions() const | libgromacs_mpi.so.7 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
std::_Rb_tree_node<std::pair<int const, armpl::wfta::regmap_elem> >* std::_Rb_tree<int, std::pair<int const, armpl::wfta::regmap_elem>, std::_Select1st<std::pair<int const, armpl::wfta::regmap_elem> >, std::less<int>,... | libarmpl.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
clear_fshift(float*) | libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 1 | 4 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
nbnxn_atomdata_add_nbat_fshift_to_fshift(nbnxn_atomdata_t const&, gmx::ArrayRef<gmx::BasicVector<float> >) | libgromacs_mpi.so.7 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
std::vector<float, gmx::Allocator<float, gmx::HostAllocationPolicy> >::_M_default_append(unsigned long) [clone .39] [clone .extracted] | libgromacs_mpi.so.7 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 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 .57] [clone .extracted] | libgromacs_mpi.so.7 | NA | 0 | NA | 0 | NA | 9 | NA | NA | NA | 0.01 | NA | 0.00 |
std::_Rb_tree_iterator<std::pair<armpl::wfta::atom const, armpl::wfta::ir_value_impl*> > std::_Rb_tree<armpl::wfta::atom, std::pair<armpl::wfta::atom const, armpl::wfta::ir_value_impl*>, std::_Select1st<std::pair<armpl::wfta::ato... | libarmpl.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | 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> > >::at(armpl::wfta::atom const&) | libarmpl.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
std::vector<int, std::allocator<int> >::_M_default_append(unsigned long) [clone .23] [clone .extracted] | libgromacs_mpi.so.7 | NA | 0 | NA | 0 | NA | 4 | NA | NA | NA | 0.00 | NA | 0.00 |
.omp_outlined.#0x894508 | libgromacs_mpi.so.7 | NA | 0 | NA | 0 | NA | 5 | NA | NA | NA | 0.00 | NA | 0.00 |
.omp_outlined..21#0x895194 | libgromacs_mpi.so.7 | NA | 0 | NA | 0 | NA | 4 | NA | NA | NA | 0.01 | NA | 0.00 |
__bcmp | libastring_aarch64.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
reset_enerdata(gmx_enerdata_t*) | libgromacs_mpi.so.7 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
std::_Function_handler<gmx::StopSignal (), gmx::StopHandlerBuilder::getStopHandlerMD(gmx::compat::not_null<gmx::SimulationSignal*>, bool, bool, int, bool, int, float, bool, _IO_FILE*, long const&, bool const&, gmx_walltime_accounting*)::$_... | libgromacs_mpi.so.7 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
_ZNSt6vectorIfN3gmx9AllocatorIfNS0_23AlignedAllocationPolicyEEEE17_M_default_appendEm.13.extracted#0x92cb20 | libgromacs_mpi.so.7 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
.omp_outlined.#0x83e9cc | libgromacs_mpi.so.7 | NA | 0 | NA | 0 | NA | 3 | NA | NA | NA | 0.00 | NA | 0.00 |
_ZNSt6vectorIfSaIfEE17_M_default_appendEm.14.extracted#0x92ccf4 | libgromacs_mpi.so.7 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
__kmpc_global_thread_num | libomp.so | NA | 0 | NA | 0 | NA | 7 | NA | NA | NA | 0.00 | NA | 0.00 |
gmx::ListOfLists<int>::pushBack(gmx::ArrayRef<int const>) | libgromacs_mpi.so.7 | NA | 0 | NA | 0 | NA | 9 | NA | NA | NA | 0.00 | NA | 0.00 |
.omp_outlined..51 | libgromacs_mpi.so.7 | NA | 0 | NA | 0 | NA | 9 | NA | NA | NA | 0.01 | NA | 0.00 |
__exp1 | libamath_aarch64.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
.omp_outlined..23#0x8624ec | libgromacs_mpi.so.7 | NA | 0 | NA | 0 | NA | 9 | NA | NA | NA | 0.00 | NA | 0.00 |
gmx::makeAtomsToConstraintsList(int, gmx::ArrayRef<InteractionList const>, gmx::ArrayRef<t_iparams const>, gmx::FlexibleConstraintTreatment) | libgromacs_mpi.so.7 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
__memcpy | libastring_aarch64.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
std::_Rb_tree<int, std::pair<int const, std::pair<sloejit::block*, sloejit::live_range const*> >, std::_Select1st<std::pair<int const, std::pair<sloejit::block*, sloejit::live_range const*> > >, std::less<int>, std::a... | libarmpl.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
.omp_outlined.#0x4cd704 | libgromacs_mpi.so.7 | NA | 0 | NA | 0 | NA | 3 | NA | NA | NA | 0.00 | NA | 0.00 |
gmx::InMemoryDeserializer::doFloat(float*) | libgromacs_mpi.so.7 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
@plt_start@ | libamath_aarch64.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
save_calloc_aligned(char const*, char const*, int, unsigned long, unsigned long, unsigned long) | libgromacs_mpi.so.7 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 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 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
armpl::wfta::prettify_algo(std::__cxx11::list<armpl::wfta::expr, std::allocator<armpl::wfta::expr> >&, armpl::wfta::io_pointers const&, armpl::wfta::fresh_atom_factory&) | libarmpl.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
std::array<std::vector<sloejit::block_live_matrix::element, std::allocator<sloejit::block_live_matrix::element> >, 4ul>::~array() | libarmpl.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
armpl::wfta::ir_value_impl::ir_value_impl(armpl::wfta::ir_value_scope*, armpl::wfta::ir_value_op, std::shared_ptr<armpl::wfta::ir_value_type>, std::vector<armpl::wfta::ir_value_impl*, std::allocator<armpl::wfta::ir_value_impl*> >, std::ve... | libarmpl.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | 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 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
std::_Rb_tree_decrement(std::_Rb_tree_node_base*) | libstdc++.so.6.0.29 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
std::pair<bool, std::optional<armpl::fft::composition<std::complex<float>, std::complex<float> > > > armpl::fft::composite_init_from_factors<std::complex<float>, std::complex<float> >(long, armpl::fft::direct... | libarmpl.so | NA | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 |
set_pbc_dd(t_pbc*, PbcType, int const*, bool, float const (*) [3]) | libgromacs_mpi.so.7 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
armpl::wfta::ir_value_scope::begin_any_order() | libarmpl.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
std::optional<armpl::fft::kernel_data<std::complex<float>, std::complex<float>, void> > armpl::fft::get_kernel_data<std::complex<float>, std::complex<float> >(long, armpl::fft::direction, int, bool, bool) | libarmpl.so | NA | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | NA | 0.00 |
std::vector<float, gmx::Allocator<float, gmx::AlignedAllocationPolicy> >::_M_default_append(unsigned long) [clone .23] [clone .extracted] | libgromacs_mpi.so.7 | NA | 0 | NA | 0 | NA | 2 | NA | NA | NA | 0.00 | 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 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
gmx::set_lincs_matrix(gmx::Lincs*, gmx::ArrayRef<float const>, float) | libgromacs_mpi.so.7 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
do_md_trajectory_writing(_IO_FILE*, t_commrec*, int, t_filenm const*, long, long, double, t_inputrec const*, t_state*, t_state*, ObservablesHistory*, gmx_mtop_t const&, t_forcerec*, gmx_mdoutf*, gmx::EnergyOutput const&, gmx_ekindata_t*, gmx::Array... | libgromacs_mpi.so.7 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
nonbonded_verlet_t::convertCoordinates(gmx::AtomLocality, gmx::ArrayRef<gmx::BasicVector<float> const>) | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
Nbnxm::GridSet::setLocalAtomOrder() | libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
__kmp_api_omp_get_num_threads | libomp.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
sloejit::live_positions::emplace(sloejit::block*, sloejit::reg, sloejit::instruction*, bool, bool, bool) | libarmpl.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
psiginfo | libc-2.31.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
std::_Rb_tree_increment(std::_Rb_tree_node_base*) | libstdc++.so.6.0.29 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
armpl::wfta::do_hoist(armpl::wfta::ir_value_scope*) | libarmpl.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 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 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
gmx_parallel_3dfft_execute(gmx_parallel_3dfft*, gmx_fft_direction, int, gmx_wallcycle*) | libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 4 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
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 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 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 | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
int __kmp_acquire_queuing_lock_timed_template<false>(kmp_queuing_lock*, int) | libomp.so | 0 | NA | 0 | NA | 5 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
armpl::wfta::do_opt(armpl::wfta::target const&, armpl::wfta::ir_value_scope*) | libarmpl.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
_dl_var_init | ld-2.31.so | 0 | 0 | 0 | 0 | 7 | 8 | NA | NA | 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 | 0 | 0 | 0 | 6 | 6 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
compute_globals(gmx_global_stat*, t_commrec*, t_inputrec const*, t_forcerec*, gmx_ekindata_t*, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> const>, float const (*) [3], t_mdatoms const*, t_nrnb... | libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 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 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
clearDDStateIndices(gmx_domdec_t*, bool) | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
globalAtomIndexToMoltypeIndices(gmx::ArrayRef<MolblockIndices const>, int) | libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 6 | 8 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
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 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
low_set_pbc(t_pbc*, PbcType, int const*, float const (*) [3]) | libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 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 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 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 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
nral_rt(int) | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 3 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
calc_vir(int, float const (*) [3], float const (*) [3], float (*) [3], bool, float const (*) [3]) [clone ._omp_fn.0] | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 3 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
PairlistSet::dispatchPruneKernel(nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>) [clone ._omp_fn.0] | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 3 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
__kmp_fork_call | libomp.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
strchrnul | libc-2.31.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
swapcontext | libc-2.31.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
__aarch64_cas4_acq_rel | libomp.so | 0 | NA | 0 | NA | 4 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
gmx::Constraints::Impl::apply(bool, bool, long, int, float, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >, float const (*)... | libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
gmx::SettleData::setConstraints(InteractionList const&, int, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>) | libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
__kmp_free_team | libomp.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 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 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
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 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
__aarch64_ldadd4_acq_rel | libarmpl.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
aarch64_traits::post_regalloc_hook(sloejit::function*) const | libarmpl.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 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 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
std::map<double, sloejit::live_position_elem, std::less<double>, std::allocator<std::pair<double const, sloejit::live_position_elem> > >::operator[](double const&) | libarmpl.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
gmx::LegacySimulator::do_md() | libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
__kmp_task_team_sync | libomp.so | 0 | 0 | 0 | 0 | 8 | 4 | NA | NA | 0.00 | 0.01 | 0.00 | 0.00 |
armpl::fft::iface::central_plan_dft<std::complex<float>, float>::execute_gs(long, void*, long, long, void*, long, long) | libarmpl.so | 0 | 0 | 0 | 0 | 13 | 10 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
gmx::ThreadedForceBuffer<float [4]>::reduce(gmx::ForceWithShiftForces*, float*, gmx_grppairener_t*, gmx::ArrayRef<float>, gmx::StepWorkload const&, int) | libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
__kmp_yield | libomp.so | 0 | 0 | 0 | 0 | 13 | 11 | NA | NA | 0.00 | 0.01 | 0.00 | 0.00 |
std::vector<std::array<unsigned long, 2ul>, std::allocator<std::array<unsigned long, 2ul> > >::_M_fill_insert(__gnu_cxx::__normal_iterator<std::array<unsigned long, 2ul>*, std::vector<std::array<unsigned long, 2ul>... | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 11 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
gmx::ThreadForceBuffer<float [4]>::resizeBufferAndClearMask(int) | libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 10 | 12 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
calcVerletBufferSize(gmx_mtop_t const&, float, t_inputrec const&, int, int, float, VerletbufListSetup const&) | libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
__kmp_internal_join | libomp.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 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*) | libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
std::vector<nbnxn_cj_t, std::allocator<nbnxn_cj_t> >::_M_default_append(unsigned long) | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 13 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
calc_vcm_grp(t_mdatoms const&, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> const>, t_vcm*) [clone ._omp_fn.0] | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 12 | NA | NA | NA | 0.01 | 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 | 0 | NA | 0 | NA | 15 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
gmx_parallel_3dfft_real_limits(gmx_parallel_3dfft*, int*, int*, int*) | libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 16 | 11 | NA | NA | 0.00 | 0.01 | 0.00 | 0.00 |
make_dp_periodic(float*) | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 11 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
armpl::wfta::do_dedup(armpl::wfta::ir_value_scope*) | libarmpl.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
armpl::fft::release_compositor_buf() | libarmpl.so | 0 | 0 | 0 | 0 | 12 | 9 | NA | NA | 0.01 | 0.01 | 0.00 | 0.00 |
vprintf | libc-2.31.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
apply_physical_subs(sloejit::arch_traits const*, sloejit::regset_one_space const&, sloejit::regmap<sloejit::reg> const&) | libarmpl.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
make_dd_indices(gmx_domdec_t*, int) | libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
void armpl::fft::execute<std::complex<float>, float>(armpl::fft::composition<std::complex<float>, float> const&, long, std::complex<float>*, float*, long, long, long, long) | libarmpl.so | 0 | 0 | 0 | 0 | 11 | 14 | NA | NA | 0.00 | 0.01 | 0.00 | 0.00 |
__kmpc_bound_num_threads | libomp.so | 0 | NA | 0 | NA | 7 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
__libc_malloc | libc-2.31.so | 0 | 0 | 0 | 0 | 3 | 2 | NA | NA | 0.03 | 0.02 | 0.01 | 0.01 |
__kmp_init_implicit_task | libomp.so | 0 | 0 | 0 | 0 | 9 | 8 | NA | NA | 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 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
armpl::fft::iface::central_plan_dft<std::complex<float>, std::complex<float> >::execute_gs(long, void*, long, long, void*, long, long) | libarmpl.so | 0 | 0 | 0 | 0 | 8 | 4 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
constrained_atom_sigma2(float, atom_nonbonded_kinetic_prop_t const*, float*, float*) | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
GOMP_barrier | libomp.so | 0 | NA | 0 | NA | 8 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
calculateSimpleBond(int, int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*, gmx::ArrayRef<float const>, t_fcdata*, t_disresdata*, t_oriresdata*, int*, BondedKernelFlavor) | libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 11 | 12 | NA | NA | 0.00 | 0.01 | 0.00 | 0.00 |
armpl::fft::iface::central_plan_dft<float, std::complex<float> >::execute_gs(long, void*, long, long, void*, long, long) | libarmpl.so | 0 | 0 | 0 | 0 | 8 | 15 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
gmx::lincs_thread_setup(gmx::Lincs*, int) [clone ._omp_fn.1] | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 8 | NA | NA | NA | 0.00 | NA | 0.00 | 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 | 0 | 0 | 0 | 8 | 12 | NA | NA | 0.01 | 0.01 | 0.00 | 0.00 |
dd_redistribute_cg(_IO_FILE*, long, gmx_domdec_t*, int*, t_state*, t_forcerec*, t_nrnb*, int*) | libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
gmx::set_lincs_matrix(gmx::Lincs*, gmx::ArrayRef<float const>, float) [clone ._omp_fn.0] | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 9 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
getThreadAtomRange(int, int, int, int*, int*) | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 7 | NA | NA | NA | 0.01 | NA | 0.00 | NA |
gmx_parallel_3dfft_complex_limits(gmx_parallel_3dfft*, int*, int*, int*, int*) | libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 7 | 7 | NA | NA | 0.01 | 0.01 | 0.00 | 0.01 |
__kmp_resume_if_soft_paused | libomp.so | 0 | 0 | 0 | 0 | 9 | 13 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
GOMP_parallel | libomp.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
std::vector<unsigned char, std::allocator<unsigned char> >::_M_default_append(unsigned long) [clone .119] [clone .extracted] | libarmpl.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
set_strata_max(armpl::wfta::ir_value_impl*, int) [clone .43] [clone .extracted] | libarmpl.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
gmx_omp_nthreads_get(ModuleMultiThread) | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
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 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
do_nb_verlet(t_forcerec*, interaction_const_t const*, gmx_enerdata_t*, gmx::StepWorkload const&, gmx::InteractionLocality, int, long, t_nrnb*, gmx_wallcycle*) [clone .part.0] | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
accumulatePotentialEnergies(gmx_enerdata_t*, gmx::ArrayRef<float const>, t_lambda const*) | libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
add_ebin_indexed(t_ebin*, int, gmx::ArrayRef<bool>, gmx::ArrayRef<float const>, bool) | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
ebin_increase_count(int, t_ebin*, bool) | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
update_tcouple(long, t_inputrec const*, t_state*, gmx_ekindata_t*, t_extmass const*, int, gmx::ArrayRef<unsigned short const>) | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | 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 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
setupForceOutputs(ForceHelperBuffers*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::DomainLifetimeWorkload const&, gmx::StepWorkload const&, bool, gmx_wallcycle*) [clone .constprop.0] | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
gmx::Update::xp() | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
pme_run_mode(gmx_pme_t const*) | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
PmeAtomComm::setNumAtoms(int) | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
sum_ekin(t_grpopts const*, gmx_ekindata_t*, float*, bool, bool) | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
ListedForces::haveCpuBondeds() const | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
gmx::Update::finish_update(t_inputrec const&, bool, int, t_state*, gmx_wallcycle*, bool) | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | 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 | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
gmx::makeSimulationInput(gmx::LegacyMdrunOptions const&) | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
gmx::constrain_coordinates(gmx::Constraints*, bool, bool, long, t_state*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float*, bool, float (*) [3]) | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
gmx::ImdSession::run(long, bool, float const (*) [3], gmx::ArrayRef<gmx::BasicVector<float> const>, double) | libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
gmx_ga2la_t::gmx_ga2la_t(int, int) | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | 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 | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
__aarch64_ldadd4_relax | libomp.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | 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 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
ddReopenBalanceRegionCpu(gmx_domdec_t const*) | libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
dd_force_flop_stop(gmx_domdec_t*, t_nrnb*) | libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
__fprintf_chk | libc-2.31.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
getVerletBufferAtomtypes(gmx_mtop_t const&, bool, bool) | libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
gmx_reverse_top_t::interactionListForMoleculeType(int) const | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
gmx::ObservablesReducer::markAsReadyToReduce() | libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
InteractionDefinitions::clear() | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
getGroupType(SimulationGroups const&, SimulationAtomGroupType, int) | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
gmx::log2I(int) | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
armpl::fft::level_data<std::complex<float>, std::complex<float> >::~level_data() | libarmpl.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
numPbcDimensions(PbcType) | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
max_cutoff2(PbcType, float const (*) [3]) | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
std::map<int, std::pair<armpl::wfta::ir_value_impl*, int>, std::less<int>, std::allocator<std::pair<int const, std::pair<armpl::wfta::ir_value_impl*, int> > > >::operator[](int const&) | libarmpl.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
isMasterSimMasterRank(gmx_multisim_t const*, bool) | libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
std::_Rb_tree<int, std::pair<int const, std::unique_ptr<armpl::wfta::ir_value_impl, std::default_delete<armpl::wfta::ir_value_impl> > >, std::_Select1st<std::pair<int const, std::unique_ptr<armpl::wfta::ir_value_impl, std::def... | libarmpl.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
std::_Rb_tree_rebalance_for_erase(std::_Rb_tree_node_base*, std::_Rb_tree_node_base&) | libstdc++.so.6.0.29 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
@plt_start@ | libopen-pal.so.40.20.3 | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |
int& std::vector<int, std::allocator<int> >::emplace_back<int>(int&&) [clone .isra.0] | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
std::_Rb_tree_decrement(std::_Rb_tree_node_base const*) | libstdc++.so.6.0.29 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
gmx_omp_get_thread_num() | libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 2 | 3 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
_IO_file_xsputn | libc-2.31.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
_IO_padn | libc-2.31.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
__kmp_allocate_team | libomp.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
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 | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
gmx_reverse_top_t::hasPositionRestraints() const | libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 2 | 2 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
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 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 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 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
__aarch64_ldadd4_rel | libomp.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
gmx::assign_constraint(gmx::Lincs*, int, int, int, float, float, gmx::ListOfLists<int> const&) | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
mk_mshift(_IO_FILE*, t_graph*, PbcType, float const (*) [3], float const (*) [3]) | libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
check_box(PbcType, float const (*) [3]) | libgromacs_mpi.so.7 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
armpl::wfta::is_constant_value(armpl::wfta::ir_value_impl*, double) | libarmpl.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
operator new(unsigned long) | libstdc++.so.6.0.29 | 0 | 0 | 0 | 0 | 2 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
sloejit::regmap<sloejit::regset_one_space>::operator[](sloejit::reg) | libarmpl.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
__gnu_cxx::__normal_iterator<std::pair<int, stack_slot>*, std::vector<std::pair<int, stack_slot>, std::allocator<std::pair<int, stack_slot> > > > std::__find_if<__gnu_cxx::__normal_iterator<std::pair<int, stack_... | libarmpl.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
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 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
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 | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
std::map<int, std::pair<sloejit::block*, sloejit::live_range const*>, std::less<int>, std::allocator<std::pair<int const, std::pair<sloejit::block*, sloejit::live_range const*> > > >::operator[](int const&) | libarmpl.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
sloejit::aarch64::instr_builder::make_fcmla_zpzzi(sloejit::reg, sloejit::reg, sloejit::reg, sloejit::reg, int, sloejit::aarch64::z_type_variant) | libarmpl.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
auto aarch64_traits::finalise_spills(sloejit::function*, sloejit::stack_frame_info const*, std::map<sloejit::reg, std::vector<sloejit::instruction*, std::allocator<sloejit::instruction*> >, std::less<sloejit::reg>, std::allocator<st... | libarmpl.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
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*> > >::at(armpl::wfta::atom const&) | libarmpl.so | 0 | 0 | 0 | 0 | 1 | 1 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 |
std::_Sp_counted_ptr_inplace<armpl::wfta::ir_value_type, std::allocator<armpl::wfta::ir_value_type>, (__gnu_cxx::_Lock_policy)2>::_M_dispose() | libarmpl.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
armpl::wfta::ir_value_scope::create_ir_value(armpl::wfta::ir_value_op, std::shared_ptr<armpl::wfta::ir_value_type>, std::vector<armpl::wfta::ir_value_impl*, std::allocator<armpl::wfta::ir_value_impl*> >, std::vector<double, std::alloca... | libarmpl.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
armpl::wfta::ir_value_scope::begin_in_rev_order() | libarmpl.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
sloejit::instruction::input_regs_exact() const | libarmpl.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
void std::vector<sloejit::live_range_edit, std::allocator<sloejit::live_range_edit> >::_M_realloc_insert<sloejit::live_range_edit>(__gnu_cxx::__normal_iterator<sloejit::live_range_edit*, std::vector<sloejit::live_range_edit, std::al... | libarmpl.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
armpl::wfta::ir_value_scope::erase_ir_value(int) | libarmpl.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
sloejit::instruction::insert_input_regs_exact(sloejit::regset&) const | libarmpl.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
sloejit::block::substitute_constraint_set(sloejit::regmap<sloejit::reg> const&) | libarmpl.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
sloejit::instruction::narrow_output_active_mask(sloejit::regset const&) | libarmpl.so | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 | NA |
Unknown function | ld-2.31.so | NA | 0 | NA | 0 | NA | 1 | NA | NA | NA | 0.00 | NA | 0.00 |