OV - Compare Functions

Functions

Name	Module	Coverage (%)	Time (s)	Nb Threads	Deviation (coverage)	Deviation (time)
Name	Module	libm	libalm	libm	libalm	libm	libalm	libm	libalm	libm	libalm
void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)0>(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const*, float c...	libgromacs_mpi.so.9.0.0	55.85	55.75	465.58	463.97	1	1	0.00	0.00	0.00	0.00
void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)1>(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const*, float c...	libgromacs_mpi.so.9.0.0	9.88	9.87	82.33	82.11	1	1	0.00	0.00	0.00	0.00
gather_f_bsplines(gmx_pme_t const, float const, bool, PmeAtomComm const, splinedata_t const, float)	libgromacs_mpi.so.9.0.0	4.56	4.65	38.02	38.72	1	1	0.00	0.00	0.00	0.00
.omp_outlined..2	libgromacs_mpi.so.9.0.0	4.04	4.02	33.66	33.43	1	1	0.00	0.00	0.00	0.00
fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	libgromacs_mpi.so.9.0.0	2.57	2.56	21.43	21.32	1	1	0.00	0.00	0.00	0.00
gmx::lincs_matrix_expand(gmx::Lincs const&, (anonymous namespace)::Task const&, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<float>)	libgromacs_mpi.so.9.0.0	1.83	1.81	15.23	15.06	1	1	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.9.0.0	1.22	1.26	10.19	10.49	1	1	0.00	0.00	0.00	0.00
do_pairs(int, int, int const, t_iparams const, float const () [3], float () [4], float () [3], t_pbc const, float const, float, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<bool const>, gmx::ArrayRef<un...	libgromacs_mpi.so.9.0.0	1.17	1.18	9.75	9.83	1	1	0.00	0.00	0.00	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.9.0.0	1.13	1.11	9.38	9.24	1	1	0.00	0.00	0.00	0.00
void nbnxmSimdPruneKernel<(KernelLayout)1>(NbnxnPairlistCpu*, nbnxn_atomdata_t const&, gmx::ArrayRef<gmx::BasicVector<float> const>, float)	libgromacs_mpi.so.9.0.0	1.09	1.09	9.10	9.08	1	1	0.00	0.00	0.00	0.00
.omp_outlined..37	libgromacs_mpi.so.9.0.0	1.10	1.05	9.15	8.75	1	1	0.00	0.00	0.00	0.00
std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::pdihs<(BondedKernelFlavor)0>(int, int const, t_iparams const, float const () [3], float () [4], float () [3], t_pbc const, float, float*,...	libgromacs_mpi.so.9.0.0	1.07	1.04	8.91	8.68	1	1	0.00	0.00	0.00	0.00
solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	libgromacs_mpi.so.9.0.0	1.03	1.01	8.56	8.39	1	1	0.00	0.00	0.00	0.00
.omp_outlined..9#0x65e110	libgromacs_mpi.so.9.0.0	NA	1.90	NA	15.82	NA	1	NA	0.00	NA	0.00
.omp_outlined..9#0x65dd70	libgromacs_mpi.so.9.0.0	1.89	NA	15.77	NA	1	NA	0.00	NA	0.00	NA
mkl_dft_def_ownscDftFwd_Prime8_32fc	libmkl_def.so.2	0.81	0.85	6.76	7.03	1	1	0.00	0.00	0.00	0.00
mkl_dft_def_ownscDftInv_Prime8_32fc	libmkl_def.so.2	0.81	0.78	6.73	6.53	1	1	0.00	0.00	0.00	0.00
mkl_dft_def_owns_cRadix4FwdNorm_32fc	libmkl_def.so.2	0.60	0.64	4.98	5.31	1	1	0.00	0.00	0.00	0.00
mkl_dft_def_owns_cRadix4InvNorm_32fc	libmkl_def.so.2	0.60	0.59	5.01	4.92	1	1	0.00	0.00	0.00	0.00
gmx::lincs_update_atoms(gmx::Lincs, int, float, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>, float () [3])	libgromacs_mpi.so.9.0.0	0.50	0.51	4.17	4.26	1	1	0.00	0.00	0.00	0.00
mkl_dft_def_ownscDftFwd_Fact3_32fc	libmkl_def.so.2	0.47	0.45	3.88	3.77	1	1	0.00	0.00	0.00	0.00
mkl_dft_def_ownscDftInv_Fact3_32fc	libmkl_def.so.2	0.45	0.46	3.72	3.79	1	1	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.9.0.0	0.41	0.45	3.43	3.73	1	1	0.00	0.00	0.00	0.00
mkl_dft_def_owns_cCcsRecombine_32f	libmkl_def.so.2	0.34	0.31	2.81	2.56	1	1	0.00	0.00	0.00	0.00
mkl_dft_def_ownscDftFwd_Fact4_32fc	libmkl_def.so.2	0.33	0.32	2.71	2.63	1	1	0.00	0.00	0.00	0.00
mkl_dft_def_ownscDftInv_Fact4_32fc	libmkl_def.so.2	0.29	0.28	2.42	2.35	1	1	0.00	0.00	0.00	0.00
pbc_dx_aiuc(t_pbc const, float const, float const, float)	libgromacs_mpi.so.9.0.0	0.23	0.31	1.90	2.57	1	1	0.00	0.00	0.00	0.00
mkl_dft_def_owns_cRealRecombine_32f	libmkl_def.so.2	0.25	0.25	2.12	2.11	1	1	0.00	0.00	0.00	0.00
__memset_avx512_unaligned_erms	libc.so.6	0.24	0.25	2.02	2.07	1	1	0.00	0.00	0.00	0.00
.omp_outlined.#0xc138b0	libgromacs_mpi.so.9.0.0	0.47	NA	3.93	NA	1	NA	0.00	NA	0.00	NA
.omp_outlined.#0xc15900	libgromacs_mpi.so.9.0.0	NA	0.46	NA	3.85	NA	1	NA	0.00	NA	0.00
.omp_outlined..70	libgromacs_mpi.so.9.0.0	0.21	0.21	1.77	1.75	1	1	0.00	0.00	0.00	0.00
copy_rvec_to_nbat_real(int const, int, int, float const () [3], int, float*, int)	libgromacs_mpi.so.9.0.0	0.20	0.21	1.69	1.74	1	1	0.00	0.00	0.00	0.00
.omp_outlined..28	libgromacs_mpi.so.9.0.0	0.20	0.20	1.68	1.68	1	1	0.00	0.00	0.00	0.00
copy_pmegrid_to_fftgrid(gmx_pme_t const, float const, float*, int)	libgromacs_mpi.so.9.0.0	0.20	0.20	1.69	1.63	1	1	0.00	0.00	0.00	0.00
bond_angle(float const, float const, float const, t_pbc const, float, float, float, int, int*)	libgromacs_mpi.so.9.0.0	0.19	0.19	1.60	1.57	1	1	0.00	0.00	0.00	0.00
f64xsubf128	libm.so.6	0.32	0.04	2.69	0.32	1	1	0.00	0.00	0.00	0.00
void do_dih_fup<(BondedKernelFlavor)2>(int, int, int, int, float, float, float, float, float, float, float () [4], float () [3], t_pbc const, float const (*) [3], int, int, int)	libgromacs_mpi.so.9.0.0	0.16	0.19	1.30	1.56	1	1	0.00	0.00	0.00	0.00
dih_angle(float const, float const, float const, float const, t_pbc const, float, float, float, float, float, int, int, int*)	libgromacs_mpi.so.9.0.0	0.15	0.18	1.24	1.46	1	1	0.00	0.00	0.00	0.00
copy_fftgrid_to_pmegrid(gmx_pme_t, float const, float*, int, int, int)	libgromacs_mpi.so.9.0.0	0.16	0.15	1.33	1.25	1	1	0.00	0.00	0.00	0.00
energyDriftAtomPair(bool, bool, float, float, float, float, pot_derivatives_t const*)	libgromacs_mpi.so.9.0.0	0.14	0.17	1.19	1.38	1	1	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.9.0.0	0.15	0.14	1.21	1.14	1	1	0.00	0.00	0.00	0.00
gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()	libgromacs_mpi.so.9.0.0	0.13	0.12	1.06	0.99	1	1	0.00	0.00	0.00	0.00
.omp_outlined..65	libgromacs_mpi.so.9.0.0	0.11	0.12	0.95	1.00	1	1	0.00	0.00	0.00	0.00
amd_ref_atan2f	libalm.so	NA	0.23	NA	1.88	NA	1	NA	0.00	NA	0.00
mkl_dft_def_ownscDftFwd_PrimeFact_32fc	libmkl_def.so.2	0.11	0.12	0.88	0.97	1	1	0.00	0.00	0.00	0.00
erfcf	libm.so.6	0.12	0.11	0.97	0.89	1	1	0.00	0.00	0.00	0.00
.omp_outlined..4	libgromacs_mpi.so.9.0.0	0.11	0.11	0.89	0.94	1	1	0.00	0.00	0.00	0.00
mkl_dft_def_ownscDftInv_PrimeFact_32fc	libmkl_def.so.2	0.11	0.11	0.89	0.89	1	1	0.00	0.00	0.00	0.00
atanf	libm.so.6	0.21	NA	1.77	NA	1	NA	0.00	NA	0.00	NA
std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))\|\|(!(1)), float>::type (anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const, t_iparams const, float const () [3], float () [4], float () [3], t_pbc const, floa...	libgromacs_mpi.so.9.0.0	0.09	0.10	0.77	0.87	1	1	0.00	0.00	0.00	0.00
std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::rbdihs<(BondedKernelFlavor)0>(int, int const, t_iparams const, float const () [3], float () [4], float () [3], t_pbc const, float, float*...	libgromacs_mpi.so.9.0.0	0.09	0.09	0.73	0.76	1	1	0.00	0.00	0.00	0.00
.omp_outlined..17	libgromacs_mpi.so.9.0.0	0.08	0.08	0.71	0.69	1	1	0.00	0.00	0.00	0.00
amd_sinf_zn4	libalm.so	NA	0.16	NA	1.33	NA	1	NA	0.00	NA	0.00
__acosf_finite	libm.so.6	0.13	NA	1.09	NA	1	NA	0.00	NA	0.00	NA
amd_acosf_zn4	libalm.so	NA	0.13	NA	1.07	NA	1	NA	0.00	NA	0.00
DftiComputeForward	libmkl_intel_lp64.so.2	0.07	0.06	0.56	0.47	1	1	0.00	0.00	0.00	0.00
DftiComputeBackward	libmkl_intel_lp64.so.2	0.06	0.06	0.51	0.48	1	1	0.00	0.00	0.00	0.00
mkl_dft_def_ippsFFTInv_CCSToR_32f	libmkl_def.so.2	0.06	0.05	0.46	0.40	1	1	0.00	0.00	0.00	0.00
int assignInteractionsForAtom<true>(AtomIndexSet const&, reverse_ilist_t const&, gmx_ga2la_t const&, gmx_domdec_zones_t const&, bool, int const, bool, float, t_pbc const, gmx::ArrayRef<gmx::BasicVector<float> const>, Int...	libgromacs_mpi.so.9.0.0	0.05	0.05	0.42	0.44	1	1	0.00	0.00	0.00	0.00
amd_exp_zn4	libalm.so	NA	0.10	NA	0.84	NA	1	NA	0.00	NA	0.00
wrap_periodic_pmegrid(gmx_pme_t const, float)	libgromacs_mpi.so.9.0.0	0.05	0.04	0.39	0.37	1	1	0.00	0.00	0.00	0.00
calc_x_times_f(int, float const () [3], float const () [3], bool, float const () [3], float () [3])	libgromacs_mpi.so.9.0.0	0.04	0.04	0.35	0.34	1	1	0.00	0.00	0.00	0.00
__atan2f_finite	libm.so.6	0.07	NA	0.62	NA	1	NA	0.00	NA	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.9.0.0	0.04	0.03	0.33	0.26	1	1	0.00	0.00	0.00	0.00
gmx_fft_1d(gmx_fft, gmx_fft_direction, void, void*)	libgromacs_mpi.so.9.0.0	0.03	0.04	0.25	0.33	1	1	0.00	0.00	0.00	0.00
unknown_function	libgromacs_mpi.so.9.0.0	0.03	0.03	0.26	0.29	1	1	0.00	0.00	0.00	0.00
mkl_dft_def_ippsFFTFwd_RToPerm_32f	libmkl_def.so.2	0.03	0.03	0.25	0.29	1	1	0.00	0.00	0.00	0.00
compute_1d_small_fwd	libmkl_def.so.2	0.03	0.04	0.22	0.32	1	1	0.00	0.00	0.00	0.00
energyDrift(gmx::ArrayRef<VerletbufAtomtype const>, gmx_ffparams_t const*, float, pot_derivatives_t const&, pot_derivatives_t const&, pot_derivatives_t const&, float, float, float, int, float)	libgromacs_mpi.so.9.0.0	0.03	0.03	0.27	0.27	1	1	0.00	0.00	0.00	0.00
mkl_serv_verbose_mode	libmkl_core.so.2	0.03	0.03	0.21	0.28	1	1	0.00	0.00	0.00	0.00
mkl_dft_def_ippsDFTInv_CToC_32fc	libmkl_def.so.2	0.03	0.03	0.22	0.25	1	1	0.00	0.00	0.00	0.00
gmx_fft_1d_real(gmx_fft, gmx_fft_direction, void, void*)	libgromacs_mpi.so.9.0.0	0.03	0.03	0.22	0.24	1	1	0.00	0.00	0.00	0.00
compute_1d_small_bwd	libmkl_def.so.2	0.03	0.02	0.26	0.20	1	1	0.00	0.00	0.00	0.00
mkl_dft_def_ippsDFTFwd_RToCCS_32f	libmkl_def.so.2	0.02	0.03	0.20	0.23	1	1	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.9.0.0	0.02	0.03	0.20	0.22	1	1	0.00	0.00	0.00	0.00
mkl_dft_def_ippsDFTFwd_CToC_32fc	libmkl_def.so.2	0.03	0.02	0.22	0.13	1	1	0.00	0.00	0.00	0.00
Nbnxm::Grid::fillCell(Nbnxm::GridSetData, nbnxn_atomdata_t, int, int, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, Nbnxm::BoundingBox*)	libgromacs_mpi.so.9.0.0	0.02	0.02	0.18	0.17	1	1	0.00	0.00	0.00	0.00
amd_cosf_zn4	libalm.so	NA	0.04	NA	0.30	NA	1	NA	0.00	NA	0.00
.omp_outlined..3#0xc01c30	libgromacs_mpi.so.9.0.0	0.03	NA	0.29	NA	1	NA	0.00	NA	0.00	NA
.omp_outlined..73	libgromacs_mpi.so.9.0.0	0.02	0.02	0.14	0.13	1	1	0.00	0.00	0.00	0.00
mkl_dft_def_transfer_ipp_mkl_error	libmkl_def.so.2	0.02	0.02	0.13	0.13	1	1	0.00	0.00	0.00	0.00
mkl_dft_def_ippsDFTInv_CCSToR_32f	libmkl_def.so.2	0.01	0.02	0.10	0.16	1	1	0.00	0.00	0.00	0.00
.omp_outlined.#0xb09d40	libgromacs_mpi.so.9.0.0	0.03	NA	0.25	NA	1	NA	0.00	NA	0.00	NA
float (anonymous namespace)::idihs<(BondedKernelFlavor)0>(int, int const, t_iparams const, float const () [3], float () [4], float () [3], t_pbc const, float, float, gmx::ArrayRef<float const>, t_fcdata, t_disresdata, t_oriresdata, in...	libgromacs_mpi.so.9.0.0	0.01	0.02	0.10	0.14	1	1	0.00	0.00	0.00	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.9.0.0	0.01	0.02	0.11	0.14	1	1	0.00	0.00	0.00	0.00
gmx::dd_partition_system(_IO_FILE, gmx::MDLogger const&, long, t_commrec const, bool, t_state, gmx_mtop_t const&, t_inputrec const&, gmx::MDModulesNotifiers const&, gmx::ImdSession, pull_t, t_state, gmx::ForceBuffers, gmx::MDAtoms, ...	libgromacs_mpi.so.9.0.0	0.02	0.01	0.15	0.10	1	1	0.00	0.00	0.00	0.00
atan2f	libm.so.6	0.03	NA	0.24	NA	1	NA	0.00	NA	0.00	NA
.omp_outlined.#0xb0bc10	libgromacs_mpi.so.9.0.0	NA	0.03	NA	0.22	NA	1	NA	0.00	NA	0.00
amd_expf_zn4	libalm.so	NA	0.03	NA	0.21	NA	1	NA	0.00	NA	0.00
globalAtomIndexToMoltypeIndices(gmx::ArrayRef<MolblockIndices const>, int)	libgromacs_mpi.so.9.0.0	0.01	0.01	0.10	0.09	1	1	0.00	0.00	0.00	0.00
.omp_outlined.#0x69ee50	libgromacs_mpi.so.9.0.0	NA	0.02	NA	0.19	NA	1	NA	0.00	NA	0.00
.omp_outlined..3#0xc03c80	libgromacs_mpi.so.9.0.0	NA	0.02	NA	0.19	NA	1	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.9.0.0	0.01	0.01	0.10	0.09	1	1	0.00	0.00	0.00	0.00
exp	libm.so.6	0.02	NA	0.19	NA	1	NA	0.00	NA	0.00	NA
gmx_fft_many_1d(gmx_fft, gmx_fft_direction, void, void*)	libgromacs_mpi.so.9.0.0	0.01	0.01	0.09	0.09	1	1	0.00	0.00	0.00	0.00
void do_dih_fup<(BondedKernelFlavor)0>(int, int, int, int, float, float, float, float, float, float, float () [4], float () [3], t_pbc const, float const (*) [3], int, int, int)	libgromacs_mpi.so.9.0.0	0.01	0.01	0.09	0.08	1	1	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.9.0.0	0.01	0.01	0.07	0.10	1	1	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.9.0.0	0.01	0.01	0.09	0.06	1	1	0.00	0.00	0.00	0.00
.omp_outlined.#0x69eab0	libgromacs_mpi.so.9.0.0	0.02	NA	0.15	NA	1	NA	0.00	NA	0.00	NA
__memcpy_avx512_unaligned_erms	libc.so.6	0.01	0.01	0.05	0.08	1	1	0.00	0.00	0.00	0.00
gmx_fft_many_1d_real(gmx_fft, gmx_fft_direction, void, void*)	libgromacs_mpi.so.9.0.0	0.01	0.01	0.06	0.07	1	1	0.00	0.00	0.00	0.00
.omp_outlined.#0xbe6fe0	libgromacs_mpi.so.9.0.0	0.02	NA	0.13	NA	1	NA	0.00	NA	0.00	NA
.omp_outlined.#0x6c63e0	libgromacs_mpi.so.9.0.0	0.02	NA	0.13	NA	1	NA	0.00	NA	0.00	NA
acosf	libm.so.6	0.01	NA	0.12	NA	1	NA	0.00	NA	0.00	NA
void std::vector<int, std::allocator<int> >::_M_range_insert<gmx::ArrayRefIter<int const> >(__gnu_cxx::__normal_iterator<int*, std::vector<int, std::allocator<int> > >, gmx::ArrayRefIter<int const>, gmx::Arra...	libgromacs_mpi.so.9.0.0	0.01	0.01	0.05	0.06	1	1	0.00	0.00	0.00	0.00
.omp_outlined.#0x6c6780	libgromacs_mpi.so.9.0.0	NA	0.01	NA	0.11	NA	1	NA	0.00	NA	0.00
.omp_outlined..29	libgromacs_mpi.so.9.0.0	0.01	0.01	0.05	0.06	1	1	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.9.0.0	0.01	0.01	0.06	0.04	1	1	0.00	0.00	0.00	0.00
.omp_outlined.#0xb02120	libgromacs_mpi.so.9.0.0	NA	0.01	NA	0.10	NA	1	NA	0.00	NA	0.00
__GI___printf_fp_l	libc.so.6	0.01	0.01	0.05	0.04	1	1	0.00	0.00	0.00	0.00
__kmp_serialized_parallel	libomp.so	0.01	0.01	0.05	0.04	1	1	0.00	0.00	0.00	0.00
unwrap_periodic_pmegrid(gmx_pme_t, float)	libgromacs_mpi.so.9.0.0	0.01	0.01	0.05	0.04	1	1	0.00	0.00	0.00	0.00
low_set_pbc(t_pbc, PbcType, int const, float const (*) [3])	libgromacs_mpi.so.9.0.0	0.01	0.00	0.05	0.04	1	1	0.00	0.00	0.00	0.00
std::vector<int, std::allocator<int> >::_M_default_append(unsigned long)	libgromacs_mpi.so.9.0.0	0.01	0.00	0.05	0.03	1	1	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.9.0.0	0.00	0.01	0.02	0.06	1	1	0.00	0.00	0.00	0.00
.omp_outlined.#0xbe9030	libgromacs_mpi.so.9.0.0	NA	0.01	NA	0.07	NA	1	NA	0.00	NA	0.00
gmx::LegacySimulator::do_md()	libgromacs_mpi.so.9.0.0	0.01	0.00	0.05	0.02	1	1	0.00	0.00	0.00	0.00
.omp_outlined.	libgromacs_mpi.so.9.0.0	0.01	0.00	0.05	0.02	1	1	0.00	0.00	0.00	0.00
do_force(_IO_FILE, t_commrec const, gmx_multisim_t const, t_inputrec const&, gmx::MDModulesNotifiers const&, gmx::Awh, gmx_enfrot, gmx::ImdSession, pull_t, long, t_nrnb, gmx_wallcycle, gmx_localtop_t const, float const (*) [3], gmx::Array...	libgromacs_mpi.so.9.0.0	0.00	0.00	0.03	0.04	1	1	0.00	0.00	0.00	0.00
mkl_dft_def_ownscDftFwd_Fact4_32fc@plt	libmkl_def.so.2	0.00	0.01	0.02	0.04	1	1	0.00	0.00	0.00	0.00
dd_redistribute_cg(_IO_FILE, long, gmx_domdec_t, int, t_state, t_forcerec, t_nrnb, int*)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.03	0.03	1	1	0.00	0.00	0.00	0.00
.omp_outlined.#0xb45160	libgromacs_mpi.so.9.0.0	0.01	NA	0.06	NA	1	NA	0.00	NA	0.00	NA
make_dd_indices(gmx_domdec_t*, int)	libgromacs_mpi.so.9.0.0	0.00	0.01	0.01	0.05	1	1	0.00	0.00	0.00	0.00
gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef<float const>, float, bool, t_commrec const, gmx::Lincs)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.02	0.03	1	1	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.9.0.0	0.00	0.00	0.03	0.03	1	1	0.00	0.00	0.00	0.00
__kmp_fork_call	libomp.so	0.00	0.01	0.01	0.04	1	1	0.00	0.00	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.9.0.0	0.00	0.00	0.02	0.02	1	1	0.00	0.00	0.00	0.00
.omp_outlined.#0xc03940	libgromacs_mpi.so.9.0.0	NA	0.01	NA	0.04	NA	1	NA	0.00	NA	0.00
mkl_dft_def_ownscDftFwd_PrimeFact_32fc@plt	libmkl_def.so.2	0.00	0.00	0.00	0.03	1	1	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.9.0.0	0.00	0.00	0.02	0.02	1	1	0.00	0.00	0.00	0.00
.omp_outlined.#0xb00250	libgromacs_mpi.so.9.0.0	0.00	NA	0.04	NA	1	NA	0.00	NA	0.00	NA
.omp_outlined.#0xb47030	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.03	NA	1	NA	0.00	NA	0.00
mkl_dft_def_ownscDftInv_Fact4_32fc@plt	libmkl_def.so.2	0.00	0.00	0.01	0.02	1	1	0.00	0.00	0.00	0.00
__kmpc_end_serialized_parallel	libomp.so	0.00	0.00	0.01	0.02	1	1	0.00	0.00	0.00	0.00
mkl_dft_def_transfer_ipp_mkl_error@plt	libmkl_def.so.2	0.00	0.00	0.01	0.02	1	1	0.00	0.00	0.00	0.00
gmx::constrain_lincs(bool, t_inputrec const&, long, gmx::Lincs, gmx::ArrayRef<float const>, t_commrec const, gmx_multisim_t const*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVecto...	libgromacs_mpi.so.9.0.0	0.00	0.00	0.01	0.01	1	1	0.00	0.00	0.00	0.00
_IO_file_xsputn	libc.so.6	0.00	0.00	0.02	0.01	1	1	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.9.0.0	0.00	0.00	0.02	0.01	1	1	0.00	0.00	0.00	0.00
wallcycleBarrier(gmx_wallcycle*)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.02	0.00	1	1	0.00	0.00	0.00	0.00
__tls_get_addr	ld-linux-x86-64.so.2	0.00	0.00	0.00	0.02	1	1	0.00	0.00	0.00	0.00
getVerletBufferAtomtypes(gmx_mtop_t const&, bool, bool)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.02	1	1	0.00	0.00	0.00	0.00
gmx::set_lincs_matrix(gmx::Lincs*, gmx::ArrayRef<float const>, float)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.01	0.01	1	1	0.00	0.00	0.00	0.00
__kmpc_for_static_fini	libomp.so	0.00	0.00	0.01	0.01	1	1	0.00	0.00	0.00	0.00
gmx_parallel_3dfft_execute(gmx_parallel_3dfft, gmx_fft_direction, int, gmx_wallcycle)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.02	NA	1	NA	0.00	NA	0.00
ebin_increase_count(int, t_ebin*, bool)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.01	1	1	0.00	0.00	0.00	0.00
nral_rt(int)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.01	1	1	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.9.0.0	0.00	0.00	0.00	0.01	1	1	0.00	0.00	0.00	0.00
do_lookup_x	ld-linux-x86-64.so.2	0.00	0.00	0.01	0.01	1	1	0.00	0.00	0.00	0.00
__strchrnul_evex	libc.so.6	0.00	0.00	0.01	0.01	1	1	0.00	0.00	0.00	0.00
gmx_reverse_top_t::hasPositionRestraints() const	libgromacs_mpi.so.9.0.0	0.00	0.00	0.01	0.01	1	1	0.00	0.00	0.00	0.00
__vfprintf_internal	libc.so.6	0.00	0.00	0.01	0.01	1	1	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.9.0.0	0.00	0.00	0.01	0.01	1	1	0.00	0.00	0.00	0.00
ddReopenBalanceRegionCpu(gmx_domdec_t const*)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.01	0.00	1	1	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.9.0.0	0.00	0.00	0.01	0.00	1	1	0.00	0.00	0.00	0.00
.plt.sec@start	libm.so.6	0.00	NA	0.02	NA	1	NA	0.00	NA	0.00	NA
__kmp_join_call	libomp.so	0.00	NA	0.02	NA	1	NA	0.00	NA	0.00	NA
__mpn_mul_1	libc.so.6	NA	0.00	NA	0.01	NA	1	NA	0.00	NA	0.00
.omp_outlined.#0xbe7d90	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.01	NA	1	NA	0.00	NA	0.00
_int_free	libc.so.6	NA	0.00	NA	0.01	NA	1	NA	0.00	NA	0.00
mkl_dft_def_ownscDftInv_PrimeFact_32fc@plt	libmkl_def.so.2	0.00	0.00	0.00	0.01	1	1	0.00	0.00	0.00	0.00
gmx::ListOfLists<int>::pushBack(gmx::ArrayRef<int const>)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.01	1	1	0.00	0.00	0.00	0.00
__GI___clock_gettime	libc.so.6	0.00	0.00	0.00	0.01	1	1	0.00	0.00	0.00	0.00
.plt.got@start	libmkl_def.so.2	0.00	0.00	0.00	0.01	1	1	0.00	0.00	0.00	0.00
gmx::InMemoryDeserializer::doFloat(float*)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.01	1	1	0.00	0.00	0.00	0.00
__kmp_pop_current_task_from_thread	libomp.so	0.00	0.00	0.00	0.01	1	1	0.00	0.00	0.00	0.00
.omp_outlined..49	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.01	1	1	0.00	0.00	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.9.0.0	0.00	0.00	0.00	0.01	1	1	0.00	0.00	0.00	0.00
dd_check_ftype(int, ReverseTopOptions const&)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.01	0.00	1	1	0.00	0.00	0.00	0.00
__kmp_invoke_microtask	libomp.so	0.00	0.00	0.01	0.00	1	1	0.00	0.00	0.00	0.00
__kmpc_for_static_init_4	libomp.so	0.00	NA	0.01	NA	1	NA	0.00	NA	0.00	NA
.omp_outlined.#0xc018f0	libgromacs_mpi.so.9.0.0	0.00	NA	0.01	NA	1	NA	0.00	NA	0.00	NA
_IO_padn	libc.so.6	NA	0.00	NA	0.01	NA	1	NA	0.00	NA	0.00
hack_digit	libc.so.6	NA	0.00	NA	0.01	NA	1	NA	0.00	NA	0.00
__kmpc_fork_call	libomp.so	NA	0.00	NA	0.01	NA	1	NA	0.00	NA	0.00
gmx::ThreadedForceBuffer<float [4]>::setupReduction()	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.01	NA	1	NA	0.00	NA	0.00
amd_cos	libalm.so	NA	0.00	NA	0.01	NA	1	NA	0.00	NA	0.00
gmx_omp_nthreads_get(ModuleMultiThread)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.01	NA	1	NA	0.00	NA	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.9.0.0	NA	0.00	NA	0.01	NA	1	NA	0.00	NA	0.00
float (anonymous namespace)::idihs<(BondedKernelFlavor)2>(int, int const, t_iparams const, float const () [3], float () [4], float () [3], t_pbc const, float, float, gmx::ArrayRef<float const>, t_fcdata, t_disresdata, t_oriresdata, in...	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.01	NA	1	NA	0.00	NA	0.00
nbnxn_atomdata_copy_shiftvec(bool, gmx::ArrayRef<gmx::BasicVector<float> >, nbnxn_atomdata_t*)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.01	NA	1	NA	0.00	NA	0.00
set_pbc_simd(t_pbc const, float)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.01	NA	1	NA	0.00	NA	0.00
gmx::ObservablesReducer::markAsReadyToReduce()	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.01	NA	1	NA	0.00	NA	0.00
dd_clear_local_constraint_indices(gmx_domdec_t*)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.01	NA	1	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.9.0.0	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
nonbonded_verlet_t::atomdata_add_nbat_f_to_f(gmx::AtomLocality, gmx::ArrayRef<gmx::BasicVector<float> >)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
clearForceBuffer(nbnxn_atomdata_t*, int)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
nonbonded_verlet_t::convertCoordinates(gmx::AtomLocality, gmx::ArrayRef<gmx::BasicVector<float> const>)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
_IO_fwrite	libc.so.6	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
__GI___libc_free	libc.so.6	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
gmx::InMemorySerializer::doInt(int*)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
__kmp_api_omp_get_thread_num	libomp.so	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
gmx_reverse_top_t::hasIntermolecularInteractions() const	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
gmx::constrain_coordinates(gmx::Constraints, bool, bool, long, t_state, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float, bool, float () [3])	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
ListedForces::haveCpuListedForces(t_fcdata const&) const	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
walltime_accounting_get_time_since_start(gmx_walltime_accounting*)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	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.9.0.0	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
__kmpc_for_static_init_8	libomp.so	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
mdoutf_get_tng_box_output_interval(gmx_mdoutf*)	libgromacs_mpi.so.9.0.0	0.00	NA	0.01	NA	1	NA	0.00	NA	0.00	NA
reset_enerdata(gmx_enerdata_t*)	libgromacs_mpi.so.9.0.0	0.00	NA	0.01	NA	1	NA	0.00	NA	0.00	NA
gmx_omp_get_thread_num()	libgromacs_mpi.so.9.0.0	0.00	NA	0.01	NA	1	NA	0.00	NA	0.00	NA
set_pbc_dd(t_pbc, PbcType, int const, bool, float const (*) [3])	libgromacs_mpi.so.9.0.0	0.00	NA	0.01	NA	1	NA	0.00	NA	0.00	NA
getGroupType(SimulationGroups const&, SimulationAtomGroupType, int)	libgromacs_mpi.so.9.0.0	0.00	NA	0.01	NA	1	NA	0.00	NA	0.00	NA
haveEnsembleTemperature(t_inputrec const&)	libgromacs_mpi.so.9.0.0	0.00	NA	0.01	NA	1	NA	0.00	NA	0.00	NA
gmx_got_usr_signal()	libgromacs_mpi.so.9.0.0	0.00	NA	0.01	NA	1	NA	0.00	NA	0.00	NA
gmx::Update::Impl::update_sd_second_half(t_inputrec const&, long, float, int, gmx::ArrayRef<ParticleType const>, gmx::ArrayRef<float const>, t_state, t_commrec const, t_nrnb, gmx_wallcycle, gmx::Constraints, bool, bool)	libgromacs_mpi.so.9.0.0	0.00	NA	0.01	NA	1	NA	0.00	NA	0.00	NA
isMainSimMainRank(gmx_multisim_t const*, bool)	libgromacs_mpi.so.9.0.0	0.00	NA	0.01	NA	1	NA	0.00	NA	0.00	NA
gmx_parallel_3dfft_real_limits(gmx_parallel_3dfft, int, int, int)	libgromacs_mpi.so.9.0.0	0.00	NA	0.01	NA	1	NA	0.00	NA	0.00	NA
nrnbIndex(int)	libgromacs_mpi.so.9.0.0	0.00	NA	0.01	NA	1	NA	0.00	NA	0.00	NA
dd_force_flop_stop(gmx_domdec_t, t_nrnb)	libgromacs_mpi.so.9.0.0	0.00	NA	0.01	NA	1	NA	0.00	NA	0.00	NA
amd_logf_zn4	libalm.so	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
gmx::InMemoryDeserializer::doInt(int*)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
__kmpc_serialized_parallel	libomp.so	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
amd_cos_zn4	libalm.so	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
__GI___libc_cleanup_pop_restore	libc.so.6	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
amd_sinf	libalm.so	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
ListedForces::setup(InteractionDefinitions const&, int, bool)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
gmx_reverse_top_t::interactionListForMoleculeType(int) const	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
NPT_energy(PressureCouplingOptions const&, TemperatureCoupling, gmx::ArrayRef<float const>, gmx_ekindata_t const&, bool, t_state const, t_extmass const)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
computeEffectiveAtomDensity(gmx::ArrayRef<gmx::BasicVector<float> const>, float const (*) [3], float, int)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
AtomIterator::operator==(AtomIterator const&) const	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
gmx::EnergyOutput::addDataAtEnergyStep(bool, bool, double, float, gmx_enerdata_t const, t_lambda const, float const () [3], gmx::PTCouplingArrays, int, float const () [3], float const () [3], gmx_ekindata_t const, float const*, gmx::Constraints cons...	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
.omp_outlined..22	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
gmx::EnergyOutput::recordNonEnergyStep()	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
amd_atan2f	libalm.so	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
shift_self(t_graph const&, float const () [3], float () [3])	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
mkl_dft_def_owns_cRadix4FwdNorm_32fc@plt	libmkl_def.so.2	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
ListedForces::calculate(gmx_wallcycle, float const () [3], t_commrec const, gmx_multisim_t const, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> const>, t_fcdata, history_t const...	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
mk_mshift(_IO_FILE, t_graph, PbcType, float const () [3], float const () [3])	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
gmx_reverse_top_t::molblockIndices() const	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
alci::CpuIdRawData::CpuIdRawData()	libalm.so	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
gmx_reverse_top_t::hasInterAtomicInteractions() const	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
xdrstdio_putint32(XDR, int)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
unknown_function	[vdso]	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
.plt.sec@start	libstdc++.so.6.0.29	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
gmx::CheckpointHandler::decideIfCheckpointingThisStepImpl(bool, bool, bool)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	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.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
calc_pres(PbcType, int, float const () [3], float const () [3], float const () [3], float () [3])	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
__strnlen_evex	libc.so.6	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
mkl_serv_verbose_mode@plt	libmkl_intel_lp64.so.2	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
__memcmp_evex_movbe	libc.so.6	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
AtomIterator::operator++()	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
gmx::ThreadedForceBuffer<float [4]>::reduce(gmx::ForceWithShiftForces, float, gmx_grppairener_t*, gmx::ArrayRef<float>, gmx::StepWorkload const&, int)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
float gmx::GammaDistribution<float>::operator()<gmx::ThreeFry2x64<64u> >(gmx::ThreeFry2x64<64u>&, gmx::GammaDistribution<float>::param_type const&)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
gmx::SettleData::setConstraints(InteractionList const&, int, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
xdr_float(XDR, float)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
xdr_vector(XDR, char, unsigned int, unsigned int, int ()(XDR, void*, ...))	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
sum_epot(gmx_grppairener_t const&, float*)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
pme_run_mode(gmx_pme_t const*)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
gmx::Update::xp()	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	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<gmx::BasicVector<float> const>, t_state*, gmx::ArrayRefWithPadding<gmx::BasicVe...	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
gmx::SimulationSignaller::SimulationSignaller(std::array<gmx::SimulationSignal, 3ul>, t_commrec const, gmx_multisim_t const*, bool, bool)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
_dl_lookup_symbol_x	ld-linux-x86-64.so.2	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
dd_clear_local_vsite_indices(gmx_domdec_t*)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	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], float (*) [3])	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
__mpn_mul	libc.so.6	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
__kmpc_global_thread_num	libomp.so	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
_IO_setb	libc.so.6	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
__GI_getenv	libc.so.6	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
___kmp_allocate	libomp.so	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
gmx::InMemoryDeserializer::doReal(float*)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
gmx::makeConstArrayRef(std::vector<gmx::BoolType, std::allocator<gmx::BoolType> > const&)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
dd_pme_maxshift_x(gmx_domdec_t const&)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
__GI___libc_alloca_cutoff	libc.so.6	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
.omp_outlined.#0x5f8c30	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
malloc_consolidate	libc.so.6	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
int __kmp_barrier_template<false>(barrier_type, int, int, unsigned long, void, void ()(void, void)) [clone .isra.33]	libomp.so	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
__kmp_get_global_thread_id_reg	libomp.so	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
__kmp_push_current_task_to_thread	libomp.so	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
.omp_outlined.#0xbe5d40	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
reduceForces(nbnxn_atomdata_t, gmx::AtomLocality, Nbnxm::GridSet const&, float () [3])	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
.omp_outlined.#0x66eb40	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
do_ilists(gmx::ISerializer, std::array<InteractionList, 94ul>, int)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA

	libm	libalm
Uncheck all modules
libgromacs_mpi.so.9.0.0	93.14853907621 %	90.713826780905 %
libmkl_def.so.2	5.4054390097735 %	5.4241685429588 %
libm.so.6	0.92609823634849 %	0.14598207175732 %
libc.so.6	0.26571346796118 %	0.27033728756942 %
libmkl_intel_lp64.so.2	0.13015761913266 %	0.11534390971064 %
libmkl_core.so.2	0.025191796943545 %	0.033641971647739 %
libomp.so	0.020993163692765 %	0.017421736964025 %
ld-linux-x86-64.so.2	0.0023992187343538 %	0.0036044970620424 %
libalm.so
[vdso]
libstdc++.so.6.0.29

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